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

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 4-methylbenzoate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic 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 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C24H16Cl2N2O4 MolecularWeight: 467.30084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-])Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-])Cl)Cl

InChI

InChI=1S/C24H16Cl2N2O4/c1-14-7-9-16(10-8-14)24(30)32-13-20-22(23(29)15-5-3-2-4-6-15)28(31)21-12-18(26)17(25)11-19(21)27-20/h2-12H,13H2,1H3