propyl (2Z)-2-[(4,4-diphenylpiperidin-1-yl)-(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: propyl (2Z)-2-[(4,4-diphenylpiperidin-1-yl)-(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: propyl (2Z)-2-[(4,4-diphenyl-1-piperidyl)-(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2Z)-2-[(4,4-diphenyl-1-piperidinyl)-(3-nitrophenyl)methylidene]-3-oxobutanoic acid propyl ester IUPAC Name: propyl (2Z)-2-[(4,4-diphenylpiperidin-1-yl)-(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (Z)-2-acetyl-3-(4,4-diphenylpiperidino)-3-(3-nitrophenyl)acrylic acid propyl ester Formula: C31H32N2O5 MolecularWeight: 512.59618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(=C(C1=CC(=CC=C1)[N+](=O)[O-])N2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CCCOC(=O)/C(=C(/C1=CC(=CC=C1)[N+](=O)[O-])\N2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)C

InChI

InChI=1S/C31H32N2O5/c1-3-21-38-30(35)28(23(2)34)29(24-11-10-16-27(22-24)33(36)37)32-19-17-31(18-20-32,25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-16,22H,3,17-21H2,1-2H3/b29-28-