[4-[[(2-nitrophenyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[(2-nitrophenyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-nitroanilino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(2-nitrophenyl)hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-nitroanilino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-nitroanilino)carbamoyl]phenyl] ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-14-7-8-15(2)20(13-14)31(28,29)30-17-11-9-16(10-12-17)21(25)23-22-18-5-3-4-6-19(18)24(26)27/h3-13,22H,1-2H3,(H,23,25)