[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3,4,5-trimethoxybenzoate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3,4,5-trimethoxybenzoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C26H22N2O7 MolecularWeight: 474.46208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H22N2O7/c1-32-21-13-17(14-22(33-2)25(21)34-3)26(30)35-15-19-23(24(29)16-9-5-4-6-10-16)28(31)20-12-8-7-11-18(20)27-19/h4-14H,15H2,1-3H3