[4-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3-chloro-4-methoxy-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(3-chloro-4-methoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3-chloro-4-methoxy-phenyl)carbamoyl]phenyl] ester Formula: C20H15ClN2O7S MolecularWeight: 462.8603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN2O7S/c1-29-19-10-7-14(11-18(19)21)22-20(24)13-5-8-16(9-6-13)30-31(27,28)17-4-2-3-15(12-17)23(25)26/h2-12H,1H3,(H,22,24)