[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H26N4O6 MolecularWeight: 406.43294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6/c1-13(2)11-20-19(26)21-17(24)12-29-18(25)14-6-7-15(16(10-14)23(27)28)22-8-4-3-5-9-22/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H2,20,21,24,26)