2-(4-phenylpiperidin-1-yl)ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-(4-phenylpiperidin-1-yl)ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-(4-phenyl-1-piperidyl)ethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-(4-phenyl-1-piperidinyl)ethyl ester IUPAC Name: 2-(4-phenylpiperidin-1-yl)ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-(4-phenylpiperidino)ethyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCCN2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCN2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5/c1-18(27)23(17-19-6-5-9-22(16-19)26(29)30)24(28)31-15-14-25-12-10-21(11-13-25)20-7-3-2-4-8-20/h2-9,16-17,21H,10-15H2,1H3/b23-17+