[(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyclohexylpropanoate

Systemtic Name: [(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyclohexylpropanoate Openeye Name: [(1S)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [(1S)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H23ClN2O5 MolecularWeight: 382.83862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CCC2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CCC2CCCCC2

InChI

InChI=1S/C18H23ClN2O5/c1-12(26-17(22)10-7-13-5-3-2-4-6-13)18(23)20-16-11-14(21(24)25)8-9-15(16)19/h8-9,11-13H,2-7,10H2,1H3,(H,20,23)/t12-/m0/s1