[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(4-benzamidophenyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(4-benzamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamidophenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(4-benzamidophenyl)-2-keto-ethyl] ester Formula: C21H16N2O5 MolecularWeight: 376.36214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C21H16N2O5/c24-19(14-28-21(26)17-10-12-23(27)13-11-17)15-6-8-18(9-7-15)22-20(25)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,25)