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

Systemtic Name: methyl 4-(6-chloranyl-3-cyano-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)benzoate Openeye Name: methyl 4-(6-chloro-3-cyano-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)benzoate CAS Name: 4-(6-chloro-3-cyano-4-oxido-1-oxo-2-quinoxalin-1-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-chloro-3-cyano-4-oxido-1-oxoquinoxalin-1-ium-2-yl)benzoate Traditional Name: 4-(6-chloro-3-cyano-1-keto-4-oxido-quinoxalin-1-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(C3=C([N+]2=O)C=CC(=C3)Cl)[O-])C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(N(C3=C([N+]2=O)C=CC(=C3)Cl)[O-])C#N

InChI

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