4-[[2-[(4-methyl-2-nitro-phenyl)diazenyl]-3-oxidanylidene-butanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[2-[(4-methyl-2-nitro-phenyl)diazenyl]-3-oxidanylidene-butanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[2-(4-methyl-2-nitro-phenyl)azo-3-oxo-butanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(4-methyl-2-nitrophenyl)azo-1,3-dioxobutyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[3-keto-2-(4-methyl-2-nitro-phenyl)azo-butanoyl]amino]besylic acid Formula: C17H16N4O7S MolecularWeight: 420.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O7S/c1-10-3-8-14(15(9-10)21(24)25)19-20-16(11(2)22)17(23)18-12-4-6-13(7-5-12)29(26,27)28/h3-9,16H,1-2H3,(H,18,23)(H,26,27,28)