[2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6/c1-22(12-18(25)21-15-6-7-15)19(26)13-30-20(27)14-8-10-23(11-9-14)16-4-2-3-5-17(16)24(28)29/h2-5,14-15H,6-13H2,1H3,(H,21,25)