N-(2-cyanoethyl)-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide

Systemtic Name: N-(2-cyanoethyl)-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide Openeye Name: N-(2-cyanoethyl)-3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide CAS Name: N-(2-cyanoethyl)-3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide IUPAC Name: N-(2-cyanoethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide Traditional Name: N-(2-cyanoethyl)-1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-carboxamide Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCC#N

Isomeric SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCC#N

InChI

InChI=1S/C13H12N4O3/c1-9-12(13(18)15-8-4-7-14)17(20)11-6-3-2-5-10(11)16(9)19/h2-3,5-6H,4,8H2,1H3,(H,15,18)