methyl 6,7-bis(chloranyl)-4-oxidanidyl-1-oxidanylidene-3-prop-2-enyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 6,7-bis(chloranyl)-4-oxidanidyl-1-oxidanylidene-3-prop-2-enyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-allyl-6,7-dichloro-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-4-oxido-1-oxo-3-prop-2-enyl-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-4-oxido-1-oxo-3-prop-2-enylquinoxalin-1-ium-2-carboxylate Traditional Name: 3-allyl-6,7-dichloro-1-keto-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C13H10Cl2N2O4 MolecularWeight: 329.1355

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])CC=C

Isomeric SMILES

COC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])CC=C

InChI

InChI=1S/C13H10Cl2N2O4/c1-3-4-9-12(13(18)21-2)17(20)11-6-8(15)7(14)5-10(11)16(9)19/h3,5-6H,1,4H2,2H3