[4-[(2-ethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-ethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-ethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(2-ethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-ethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-ethylphenyl)carbamoyl]phenyl] ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-2-15-6-3-4-9-20(15)22-21(24)16-10-12-18(13-11-16)29-30(27,28)19-8-5-7-17(14-19)23(25)26/h3-14H,2H2,1H3,(H,22,24)