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

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-20-13-15(22(25)26)12-16(20)19(24)27-17(14-8-4-2-5-9-14)18(23)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,17H,3,6-7,10-11H2,1H3