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

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-methylpropanoate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C20H16Cl2N2O4 MolecularWeight: 419.25804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1=NC2=CC(=C(C=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-])Cl)Cl

Isomeric SMILES

CC(C)C(=O)OCC1=NC2=CC(=C(C=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-])Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O4/c1-11(2)20(26)28-10-16-18(19(25)12-6-4-3-5-7-12)24(27)17-9-14(22)13(21)8-15(17)23-16/h3-9,11H,10H2,1-2H3