(3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (3-acetyl-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=CC=CC=C2N=C1COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)[O-]

Isomeric SMILES

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)[O-]

InChI

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