2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-nitro-phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-nitro-phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-nitro-phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-nitrophenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-nitrophenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-nitro-phenyl]benzoic acid Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C21H16N4O5/c22-19(23)12-5-7-13(8-6-12)24-20(26)18-11-14(25(29)30)9-10-16(18)15-3-1-2-4-17(15)21(27)28/h1-11H,(H3,22,23)(H,24,26)(H,27,28)