[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] cyclopentanecarboxylate

Systemtic Name: [(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] cyclopentanecarboxylate Openeye Name: [(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-14-11-12-17(18(13-14)23(26)27)22-20(24)19(15-7-3-2-4-8-15)28-21(25)16-9-5-6-10-16/h2-4,7-8,11-13,16,19H,5-6,9-10H2,1H3,(H,22,24)/t19-/m0/s1