methyl 4-(3-cyano-7-methyl-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)benzoate

Systemtic Name: methyl 4-(3-cyano-7-methyl-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)benzoate Openeye Name: methyl 4-(3-cyano-7-methyl-1-oxido-4-oxo-quinoxalin-4-ium-2-yl)benzoate CAS Name: 4-(3-cyano-7-methyl-1-oxido-4-oxo-2-quinoxalin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-7-methyl-1-oxido-4-oxoquinoxalin-4-ium-2-yl)benzoate Traditional Name: 4-(3-cyano-4-keto-7-methyl-1-oxido-quinoxalin-4-ium-2-yl)benzoic acid methyl ester Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C3=CC=C(C=C3)C(=O)OC)C#N

InChI

InChI=1S/C18H13N3O4/c1-11-3-8-14-15(9-11)21(24)17(16(10-19)20(14)23)12-4-6-13(7-5-12)18(22)25-2/h3-9H,1-2H3