(phenylmethyl) 3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: benzyl 3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-carboxylic acid benzyl ester Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4/c1-12-16(17(20)23-11-13-7-3-2-4-8-13)19(22)15-10-6-5-9-14(15)18(12)21/h2-10H,11H2,1H3