[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N4O6 MolecularWeight: 418.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6/c25-18(22-20(27)21-15-5-1-2-6-15)13-30-19(26)14-9-11-23(12-10-14)16-7-3-4-8-17(16)24(28)29/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H2,21,22,25,27)