[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6/c1-4-20-19(26)21-17(24)13(3)29-18(25)14-7-8-15(16(10-14)23(27)28)22-9-5-6-12(2)11-22/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H2,20,21,24,26)