[(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [(1R)-2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1R)-2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)N(C)C2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c1-12-11-14(9-10-16(12)20(23)24)18(22)25-13(2)17(21)19(3)15-7-5-4-6-8-15/h9-11,13,15H,4-8H2,1-3H3/t13-/m1/s1