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

Systemtic Name: 2-[[4-[(4-methylphenyl)diazenyl]phenyl]carbamoyl]-4-nitro-benzoic acid Openeye Name: 4-nitro-2-[[4-(p-tolylazo)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-(4-methylphenyl)azoanilino]-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[[4-[(4-methylphenyl)diazenyl]phenyl]carbamoyl]-4-nitrobenzoic acid Traditional Name: 4-nitro-2-[[4-(p-tolylazo)phenyl]carbamoyl]benzoic acid Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N4O5/c1-13-2-4-15(5-3-13)23-24-16-8-6-14(7-9-16)22-20(26)19-12-17(25(29)30)10-11-18(19)21(27)28/h2-12H,1H3,(H,22,26)(H,27,28)