ethyl 3-[(2-nitrophenyl)methyl]-2-oxidanylidene-1-propyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-nitrophenyl)methyl]-2-oxidanylidene-1-propyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(2-nitrophenyl)methyl]-2-oxo-1-propyl-piperidine-3-carboxylate CAS Name: 3-[(2-nitrophenyl)methyl]-2-oxo-1-propyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-nitrophenyl)methyl]-2-oxo-1-propylpiperidine-3-carboxylate Traditional Name: 2-keto-3-(2-nitrobenzyl)-1-propyl-nipecotic acid ethyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(C1=O)(CC2=CC=CC=C2[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCN1CCCC(C1=O)(CC2=CC=CC=C2[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H24N2O5/c1-3-11-19-12-7-10-18(16(19)21,17(22)25-4-2)13-14-8-5-6-9-15(14)20(23)24/h5-6,8-9H,3-4,7,10-13H2,1-2H3