[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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