[6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-methylbenzoate

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-methylbenzoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid (3-benzoyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H20N2O5/c1-16-8-6-7-11-19(16)25(29)32-15-21-23(24(28)17-9-4-3-5-10-17)27(30)22-14-18(31-2)12-13-20(22)26-21/h3-14H,15H2,1-2H3