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

Systemtic Name: [(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] cyclohexanecarboxylate Openeye Name: [(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-15-12-13-18(19(14-15)24(27)28)23-21(25)20(16-8-4-2-5-9-16)29-22(26)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17,20H,3,6-7,10-11H2,1H3,(H,23,25)/t20-/m0/s1