[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-14-17(5-4-6-18(14)24(27)28)23-19(25)13-29-20(26)21(11-2-3-12-21)15-7-9-16(22)10-8-15/h4-10H,2-3,11-13H2,1H3,(H,23,25)