methyl 4-(3-cyano-6-methoxy-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)benzoate

Systemtic Name: methyl 4-(3-cyano-6-methoxy-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)benzoate Openeye Name: methyl 4-(3-cyano-6-methoxy-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)benzoate CAS Name: 4-(3-cyano-6-methoxy-4-oxido-1-oxo-2-quinoxalin-1-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-6-methoxy-4-oxido-1-oxoquinoxalin-1-ium-2-yl)benzoate Traditional Name: 4-(3-cyano-1-keto-6-methoxy-4-oxido-quinoxalin-1-ium-2-yl)benzoic acid methyl ester Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C#N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C#N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H13N3O5/c1-25-13-7-8-14-15(9-13)20(23)16(10-19)17(21(14)24)11-3-5-12(6-4-11)18(22)26-2/h3-9H,1-2H3