[4-[(4-methyl-2-oxidanyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-methyl-2-oxidanyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-hydroxy-4-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(2-hydroxy-4-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-hydroxy-4-methylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-hydroxy-4-methyl-phenyl)carbamoyl]phenyl] ester Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H16N2O7S/c1-13-5-10-18(19(23)11-13)21-20(24)14-6-8-16(9-7-14)29-30(27,28)17-4-2-3-15(12-17)22(25)26/h2-12,23H,1H3,(H,21,24)