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

Systemtic Name: methyl 4-(7-chloranyl-3-cyano-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)benzoate Openeye Name: methyl 4-(7-chloro-3-cyano-1-oxido-4-oxo-quinoxalin-4-ium-2-yl)benzoate CAS Name: 4-(7-chloro-3-cyano-1-oxido-4-oxo-2-quinoxalin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(7-chloro-3-cyano-1-oxido-4-oxoquinoxalin-4-ium-2-yl)benzoate Traditional Name: 4-(7-chloro-3-cyano-4-keto-1-oxido-quinoxalin-4-ium-2-yl)benzoic acid methyl ester Formula: C17H10ClN3O4 MolecularWeight: 355.732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=C(N2[O-])C=C(C=C3)Cl)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=C(N2[O-])C=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H10ClN3O4/c1-25-17(22)11-4-2-10(3-5-11)16-15(9-19)20(23)13-7-6-12(18)8-14(13)21(16)24/h2-8H,1H3