[6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-methoxybenzoate

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-methoxybenzoate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid (3-benzoyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C24H16Cl2N2O5 MolecularWeight: 483.30024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-])Cl)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-])Cl)Cl

InChI

InChI=1S/C24H16Cl2N2O5/c1-32-16-9-5-8-15(10-16)24(30)33-13-20-22(23(29)14-6-3-2-4-7-14)28(31)21-12-18(26)17(25)11-19(21)27-20/h2-12H,13H2,1H3