[4-[(pyridin-3-ylcarbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(pyridin-3-ylcarbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(pyridine-3-carbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]phenyl] ester IUPAC Name: [4-[(pyridine-3-carbonylamino)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(nicotinamidocarbamoyl)phenyl] ester Formula: C19H14N4O7S MolecularWeight: 442.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O7S/c24-18(21-22-19(25)14-3-2-10-20-12-14)13-6-8-16(9-7-13)30-31(28,29)17-5-1-4-15(11-17)23(26)27/h1-12H,(H,21,24)(H,22,25)