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

Systemtic Name: (phenylmethyl) 3,6,7-trimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: benzyl 3,6,7-trimethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3,6,7-trimethyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-keto-3,6,7-trimethyl-4-oxido-quinoxalin-1-ium-2-carboxylic acid benzyl ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4/c1-12-9-16-17(10-13(12)2)21(24)18(14(3)20(16)23)19(22)25-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3