methyl 1-[(4-methoxyphenyl)methyl]-5-(nitromethyl)-5-oxidanyl-6-oxidanylidene-piperidine-2-carboxylate

Systemtic Name: methyl 1-[(4-methoxyphenyl)methyl]-5-(nitromethyl)-5-oxidanyl-6-oxidanylidene-piperidine-2-carboxylate Openeye Name: methyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-5-(nitromethyl)-6-oxo-piperidine-2-carboxylate CAS Name: 5-hydroxy-1-[(4-methoxyphenyl)methyl]-5-(nitromethyl)-6-oxo-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-5-(nitromethyl)-6-oxopiperidine-2-carboxylate Traditional Name: 5-hydroxy-6-keto-5-(nitromethyl)-1-p-anisyl-pipecolinic acid methyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(CCC(C2=O)(C[N+](=O)[O-])O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(CCC(C2=O)(C[N+](=O)[O-])O)C(=O)OC

InChI

InChI=1S/C16H20N2O7/c1-24-12-5-3-11(4-6-12)9-17-13(14(19)25-2)7-8-16(21,15(17)20)10-18(22)23/h3-6,13,21H,7-10H2,1-2H3