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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

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

InChI

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