(2-azanyl-2-oxidanylidene-ethyl) 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (2-amino-2-keto-ethyl) ester Formula: C14H17N3O5 MolecularWeight: 307.30188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c15-13(18)9-22-14(19)10-5-7-16(8-6-10)11-3-1-2-4-12(11)17(20)21/h1-4,10H,5-9H2,(H2,15,18)