N-[(E)-1-bromanyl-1-(2,6-dimethoxyphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-1-bromanyl-1-(2,6-dimethoxyphenyl)-3-oxidanylidene-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-2-bromo-2-(2,6-dimethoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-bromo-1-(2,6-dimethoxyphenyl)-3-oxo-3-(1-piperidinyl)prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-bromo-1-(2,6-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-2-bromo-2-(2,6-dimethoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide Formula: C23H24BrN3O6 MolecularWeight: 518.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=C(C(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C(=CC=C1)OC)/C(=C(/C(=O)N2CCCCC2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/Br

InChI

InChI=1S/C23H24BrN3O6/c1-32-17-7-6-8-18(33-2)19(17)20(24)21(23(29)26-13-4-3-5-14-26)25-22(28)15-9-11-16(12-10-15)27(30)31/h6-12H,3-5,13-14H2,1-2H3,(H,25,28)/b21-20+