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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl benzoate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C18H12Cl2N2O4 MolecularWeight: 391.20488

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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)Cl)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12Cl2N2O4/c1-10(23)17-15(9-26-18(24)11-5-3-2-4-6-11)21-14-7-12(19)13(20)8-16(14)22(17)25/h2-8H,9H2,1H3