[6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl 3,4,5-trimethoxybenzoate

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl 3,4,5-trimethoxybenzoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (3-acetyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H18Cl2N2O7 MolecularWeight: 481.28282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O7/c1-10(26)19-15(24-14-7-12(22)13(23)8-16(14)25(19)28)9-32-21(27)11-5-17(29-2)20(31-4)18(6-11)30-3/h5-8H,9H2,1-4H3