ethyl (NE)-N-(3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)carbamate

Systemtic Name: ethyl (NE)-N-(3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)carbamate Openeye Name: ethyl (NE)-N-(3-cyano-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)carbamate CAS Name: (NE)-N-(3-cyano-1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)carbamic acid ethyl ester IUPAC Name: ethyl (NE)-N-(3-cyano-1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)carbamate Traditional Name: (NE)-N-(3-cyano-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)carbamic acid ethyl ester Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O4/c1-2-20-12(17)14-11-10(7-13)15(18)8-5-3-4-6-9(8)16(11)19/h3-6,19H,2H2,1H3/b14-11+