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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl 3,5-dimethoxybenzoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic 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 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C20H16Cl2N2O6 MolecularWeight: 451.25684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O6/c1-10(25)19-17(23-16-7-14(21)15(22)8-18(16)24(19)27)9-30-20(26)11-4-12(28-2)6-13(5-11)29-3/h4-8H,9H2,1-3H3