2-[(1-methylbenzimidazol-4-yl)amino]-3-nitro-benzoic acid

Systemtic Name: 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitro-benzoic acid Openeye Name: 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitro-benzoic acid CAS Name: 2-[(1-methyl-4-benzimidazolyl)amino]-3-nitrobenzoic acid IUPAC Name: 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitrobenzoic acid Traditional Name: 2-[(1-methylbenzimidazol-4-yl)amino]-3-nitro-benzoic acid Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC=C2NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C=NC2=C1C=CC=C2NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H12N4O4/c1-18-8-16-14-10(5-3-6-11(14)18)17-13-9(15(20)21)4-2-7-12(13)19(22)23/h2-8,17H,1H3,(H,20,21)