[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C17H21ClN2O5 MolecularWeight: 368.81204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H21ClN2O5/c1-10-5-3-4-6-15(10)19-16(21)11(2)25-17(22)13-8-7-12(20(23)24)9-14(13)18/h7-11,15H,3-6H2,1-2H3,(H,19,21)