[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2CCCCC2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)NC2CCCCC2

InChI

InChI=1S/C17H22N2O5/c1-11-14(9-6-10-15(11)19(22)23)17(21)24-12(2)16(20)18-13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8H2,1-2H3,(H,18,20)/t12-/m1/s1