methyl 4-(3-cyano-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)benzoate

Systemtic Name: methyl 4-(3-cyano-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)benzoate Openeye Name: methyl 4-(3-cyano-1-oxido-4-oxo-quinoxalin-4-ium-2-yl)benzoate CAS Name: 4-(3-cyano-1-oxido-4-oxo-2-quinoxalin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-1-oxido-4-oxoquinoxalin-4-ium-2-yl)benzoate Traditional Name: 4-(3-cyano-4-keto-1-oxido-quinoxalin-4-ium-2-yl)benzoic acid methyl ester Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=CC=CC=C3N2[O-])C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=CC=CC=C3N2[O-])C#N

InChI

InChI=1S/C17H11N3O4/c1-24-17(21)12-8-6-11(7-9-12)16-15(10-18)19(22)13-4-2-3-5-14(13)20(16)23/h2-9H,1H3