4-[2-(3-nitrophenyl)-4-oxoquinazolin-3-yl]benzoic acid (CHEM321103)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 02:53:59 UTC | ||||||||
| Update Date | 2026-08-30 02:53:59 UTC | ||||||||
| Accession Number | CHEM321103 | ||||||||
| Identification | |||||||||
| Common Name | 4-[2-(3-nitrophenyl)-4-oxoquinazolin-3-yl]benzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H13N3O5 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 387.086 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[2-(3-nitrophenyl)-4-oxoquinazolin-3-yl]benzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O | ||||||||
| InChI Identifier | InChI=1S/C21H13N3O5/c25-20-17-6-1-2-7-18(17)22-19(14-4-3-5-16(12-14)24(28)29)23(20)15-10-8-13(9-11-15)21(26)27/h1-12H,(H,26,27) | ||||||||
| InChI Key | VJADHYROALFQQW-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
