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

Systemtic Name: 4-[[2-[(4-chloranyl-2-nitro-phenyl)diazenyl]-3-oxidanylidene-butanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[2-(4-chloro-2-nitro-phenyl)azo-3-oxo-butanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(4-chloro-2-nitrophenyl)azo-1,3-dioxobutyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(4-chloro-2-nitro-phenyl)azo-3-keto-butanoyl]amino]besylic acid Formula: C16H13ClN4O7S MolecularWeight: 440.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O7S/c1-9(22)15(20-19-13-7-2-10(17)8-14(13)21(24)25)16(23)18-11-3-5-12(6-4-11)29(26,27)28/h2-8,15H,1H3,(H,18,23)(H,26,27,28)