ethyl (NE)-N-[6,7-bis(chloranyl)-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene]carbamate

Systemtic Name: ethyl (NE)-N-[6,7-bis(chloranyl)-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene]carbamate Openeye Name: ethyl (NE)-N-(6,7-dichloro-3-cyano-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)carbamate CAS Name: (NE)-N-(6,7-dichloro-3-cyano-1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)carbamic acid ethyl ester IUPAC Name: ethyl (NE)-N-(6,7-dichloro-3-cyano-1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)carbamate Traditional Name: (NE)-N-(6,7-dichloro-3-cyano-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)carbamic acid ethyl ester Formula: C12H8Cl2N4O4 MolecularWeight: 343.12232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C1C(=[N+](C2=CC(=C(C=C2N1O)Cl)Cl)[O-])C#N

Isomeric SMILES

CCOC(=O)/N=C/1\C(=[N+](C2=CC(=C(C=C2N1O)Cl)Cl)[O-])C#N

InChI

InChI=1S/C12H8Cl2N4O4/c1-2-22-12(19)16-11-10(5-15)17(20)8-3-6(13)7(14)4-9(8)18(11)21/h3-4,21H,2H2,1H3/b16-11+