2-piperidin-1-ium-1-ylethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-piperidin-1-ium-1-ylethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C18H23N2O5+ MolecularWeight: 347.38562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC[NH+]2CCCCC2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCC[NH+]2CCCCC2

InChI

InChI=1S/C18H22N2O5/c1-14(21)17(13-15-6-5-7-16(12-15)20(23)24)18(22)25-11-10-19-8-3-2-4-9-19/h5-7,12-13H,2-4,8-11H2,1H3/p+1/b17-13+