[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6/c1-18-13-8-7-11(9-14(13)21(25)26)16(23)27-10-15(22)20-17(24)19-12-5-3-2-4-6-12/h7-9,12,18H,2-6,10H2,1H3,(H2,19,20,22,24)