ethyl 1-[(4-nitro-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-nitro-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(4-nitro-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-nitro-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(4-nitro-1H-pyrrole-2-carbonyl)nipecotic acid ethyl ester Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-2-21-13(18)9-4-3-5-15(8-9)12(17)11-6-10(7-14-11)16(19)20/h6-7,9,14H,2-5,8H2,1H3