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

Systemtic Name: propan-2-yl (NE)-N-(3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)carbamate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4/c1-8(2)21-13(18)15-12-11(7-14)16(19)9-5-3-4-6-10(9)17(12)20/h3-6,8,20H,1-2H3/b15-12+