[4-[[(3-chlorophenyl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[(3-chlorophenyl)carbonylamino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[(3-chlorophenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl] ester Formula: C20H14ClN3O7S MolecularWeight: 475.85906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O7S/c21-15-4-1-3-14(11-15)20(26)23-22-19(25)13-7-9-17(10-8-13)31-32(29,30)18-6-2-5-16(12-18)24(27)28/h1-12H,(H,22,25)(H,23,26)