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

Systemtic Name: (phenylmethyl) 7-chloranyl-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: benzyl 7-chloro-3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 7-chloro-3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-chloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-chloro-1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-carboxylic acid benzyl ester Formula: C17H13ClN2O4 MolecularWeight: 344.74912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H13ClN2O4/c1-11-16(17(21)24-10-12-5-3-2-4-6-12)20(23)15-9-13(18)7-8-14(15)19(11)22/h2-9H,10H2,1H3