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

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 4-chloranylbenzoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C23H15ClN2O4 MolecularWeight: 418.8292

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=C(C=C4)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClN2O4/c24-17-12-10-16(11-13-17)23(28)30-14-19-21(22(27)15-6-2-1-3-7-15)26(29)20-9-5-4-8-18(20)25-19/h1-13H,14H2