ethyl 1-[2-(2,4-dinitrophenyl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(2,4-dinitrophenyl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2,4-dinitrophenyl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(2,4-dinitrophenyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,4-dinitrophenyl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(2,4-dinitrophenyl)acetyl]nipecotic acid ethyl ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7/c1-2-26-16(21)12-4-3-7-17(10-12)15(20)8-11-5-6-13(18(22)23)9-14(11)19(24)25/h5-6,9,12H,2-4,7-8,10H2,1H3