[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl] ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6/c1-23(2)16-9-8-15(12-17(16)24(28)29)19(26)30-13-18(25)22-20(27)21-11-10-14-6-4-3-5-7-14/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3,(H2,21,22,25,27)