4-[[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]carbamoyl]benzoic acid CAS Name: 4-[[4-(1-hydroxy-6-nitro-2-benzimidazolyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]carbamoyl]benzoic acid Traditional Name: 4-[[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]carbamoyl]benzoic acid Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2O)C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2O)C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14N4O6/c26-20(13-1-3-14(4-2-13)21(27)28)22-15-7-5-12(6-8-15)19-23-17-10-9-16(25(30)31)11-18(17)24(19)29/h1-11,29H,(H,22,26)(H,27,28)