[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CC(CC(C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CC(CC(C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6/c1-4-20-19(26)21-17(24)11-29-18(25)14-5-6-15(16(8-14)23(27)28)22-9-12(2)7-13(3)10-22/h5-6,8,12-13H,4,7,9-11H2,1-3H3,(H2,20,21,24,26)