(phenylmethyl) 6,7-bis(chloranyl)-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) 6,7-bis(chloranyl)-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: benzyl 6,7-dichloro-3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-carboxylic acid benzyl ester Formula: C17H12Cl2N2O4 MolecularWeight: 379.19418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H12Cl2N2O4/c1-10-16(17(22)25-9-11-5-3-2-4-6-11)21(24)15-8-13(19)12(18)7-14(15)20(10)23/h2-8H,9H2,1H3