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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl 4-methylbenzoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic 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 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C19H14Cl2N2O4 MolecularWeight: 405.23146

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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)C)[O-])Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H14Cl2N2O4/c1-10-3-5-12(6-4-10)19(25)27-9-16-18(11(2)24)23(26)17-8-14(21)13(20)7-15(17)22-16/h3-8H,9H2,1-2H3