[4-[(3-ethanoylphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[(3-ethanoylphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(3-acetylphenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(3-acetylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-acetylphenyl)carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[(3-acetylphenyl)carbamoyl]phenyl] ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H18N2O7S/c1-14-6-9-19(24(27)28)13-21(14)32(29,30)31-20-10-7-16(8-11-20)22(26)23-18-5-3-4-17(12-18)15(2)25/h3-13H,1-2H3,(H,23,26)