(3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3,4-dimethoxybenzoate

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3,4-dimethoxybenzoate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid (3-acetyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC(=C(C=C3)OC)OC)[O-]

Isomeric SMILES

CC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)C3=CC(=C(C=C3)OC)OC)[O-]

InChI

InChI=1S/C21H20N2O7/c1-12(24)20-16(22-15-7-6-14(27-2)10-17(15)23(20)26)11-30-21(25)13-5-8-18(28-3)19(9-13)29-4/h5-10H,11H2,1-4H3