[4-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-[(4-sulfamoylphenyl)hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-[(4-sulfamoylphenyl)hydrazono]methyl]phenyl] ester Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=NNC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O6S/c21-31(28,29)19-10-6-16(7-11-19)23-22-13-14-4-8-18(9-5-14)30-20(25)15-2-1-3-17(12-15)24(26)27/h1-13,23H,(H2,21,28,29)/b22-13+