methyl 2-[2-cyano-5-(2-nitroethyl)-1-(phenylcarbonyl)piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[2-cyano-5-(2-nitroethyl)-1-(phenylcarbonyl)piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-benzoyl-2-cyano-5-(2-nitroethyl)-4-piperidyl]acetate CAS Name: 2-[1-benzoyl-2-cyano-5-(2-nitroethyl)-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-benzoyl-2-cyano-5-(2-nitroethyl)piperidin-4-yl]acetate Traditional Name: 2-[1-benzoyl-2-cyano-5-(2-nitroethyl)-4-piperidyl]acetic acid methyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(N(CC1CC[N+](=O)[O-])C(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)CC1CC(N(CC1CC[N+](=O)[O-])C(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H21N3O5/c1-26-17(22)10-15-9-16(11-19)20(12-14(15)7-8-21(24)25)18(23)13-5-3-2-4-6-13/h2-6,14-16H,7-10,12H2,1H3