[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6/c1-3-8-20-19(26)21-17(24)12-29-18(25)14-4-5-15(16(11-14)23(27)28)22-9-6-13(2)7-10-22/h3-5,11,13H,1,6-10,12H2,2H3,(H2,20,21,24,26)