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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)Cl)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)Cl)[O-])CC3=CC=CC=C3

InChI

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