[4-[(E)-2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]phenyl] 2-nitrobenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]prop-1-enyl]phenyl] 2-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[(E)-2-cyano-3-keto-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] ester Formula: C23H16N4O7S MolecularWeight: 492.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O7S/c24-14-16(22(28)26-17-7-11-19(12-8-17)35(25,32)33)13-15-5-9-18(10-6-15)34-23(29)20-3-1-2-4-21(20)27(30)31/h1-13H,(H,26,28)(H2,25,32,33)/b16-13+