[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N2O7S/c1-15-9-10-16(2)20(13-15)33(30,31)23(11-4-5-12-23)22(27)32-14-21(26)24-18-7-6-8-19(17(18)3)25(28)29/h6-10,13H,4-5,11-12,14H2,1-3H3,(H,24,26)