methyl (2S)-2-(4-nitrophenyl)-2-[(2S)-piperidin-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-(4-nitrophenyl)-2-[(2S)-piperidin-2-yl]ethanoate Openeye Name: methyl (2S)-2-(4-nitrophenyl)-2-[(2S)-2-piperidyl]acetate CAS Name: (2S)-2-(4-nitrophenyl)-2-[(2S)-2-piperidinyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(4-nitrophenyl)-2-[(2S)-piperidin-2-yl]acetate Traditional Name: (2S)-2-(4-nitrophenyl)-2-[(2S)-2-piperidyl]acetic acid methyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCN1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]([C@@H]1CCCCN1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-20-14(17)13(12-4-2-3-9-15-12)10-5-7-11(8-6-10)16(18)19/h5-8,12-13,15H,2-4,9H2,1H3/t12-,13-/m0/s1