[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pyridine-4-carboxylate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pyridine-4-carboxylate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H15N3O4 MolecularWeight: 385.3722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC=CC=C3N=C2COC(=O)C4=CC=NC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC=CC=C3N=C2COC(=O)C4=CC=NC=C4)[O-]

InChI

InChI=1S/C22H15N3O4/c26-21(15-6-2-1-3-7-15)20-18(14-29-22(27)16-10-12-23-13-11-16)24-17-8-4-5-9-19(17)25(20)28/h1-13H,14H2