(2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-14-8-10(16(19)20)7-11(14)13(18)21-9-12(17)15-5-3-2-4-6-15/h7-8H,2-6,9H2,1H3