[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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