4-[ethanoyl-[2-[(2-methoxy-4-nitro-phenyl)diazenyl]ethanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[ethanoyl-[2-[(2-methoxy-4-nitro-phenyl)diazenyl]ethanoyl]amino]benzenesulfonic acid Openeye Name: 4-[acetyl-[2-(2-methoxy-4-nitro-phenyl)azoacetyl]amino]benzenesulfonic acid CAS Name: 4-[acetyl-[2-(2-methoxy-4-nitrophenyl)azo-1-oxoethyl]amino]benzenesulfonic acid IUPAC Name: 4-[acetyl-[2-[(2-methoxy-4-nitrophenyl)diazenyl]acetyl]amino]benzenesulfonic acid Traditional Name: 4-[acetyl-[2-(2-methoxy-4-nitro-phenyl)azoacetyl]amino]besylic acid Formula: C17H16N4O8S MolecularWeight: 436.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)CN=NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)CN=NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N4O8S/c1-11(22)20(12-3-6-14(7-4-12)30(26,27)28)17(23)10-18-19-15-8-5-13(21(24)25)9-16(15)29-2/h3-9H,10H2,1-2H3,(H,26,27,28)