[6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3,4-dimethoxybenzoate

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3,4-dimethoxybenzoate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid (3-benzoyl-6-ethoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C27H24N2O7 MolecularWeight: 488.48866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H24N2O7/c1-4-35-19-11-12-20-22(15-19)29(32)25(26(30)17-8-6-5-7-9-17)21(28-20)16-36-27(31)18-10-13-23(33-2)24(14-18)34-3/h5-15H,4,16H2,1-3H3