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

Systemtic Name: (phenylmethyl) 3,7-dimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: benzyl 3,7-dimethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3,7-dimethyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-keto-3,7-dimethyl-4-oxido-quinoxalin-1-ium-2-carboxylic acid benzyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)OCC3=CC=CC=C3)C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)OCC3=CC=CC=C3)C)[O-]

InChI

InChI=1S/C18H16N2O4/c1-12-8-9-15-16(10-12)20(23)17(13(2)19(15)22)18(21)24-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3