[(1R)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [(1R)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [(1R)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [(1R)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN2O5/c22-17-12-11-16(13-18(17)24(27)28)23-20(25)19(14-7-3-1-4-8-14)29-21(26)15-9-5-2-6-10-15/h1-5,7-8,11-13,15,19H,6,9-10H2,(H,23,25)/t15-,19-/m1/s1