[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6/c1-11(15(21)19-17(23)18-13-7-3-2-4-8-13)26-16(22)12-6-5-9-14(10-12)20(24)25/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,18,19,21,23)/t11-/m1/s1