propan-2-yl (NE)-N-(6-chloranyl-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)carbamate

Systemtic Name: propan-2-yl (NE)-N-(6-chloranyl-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)carbamate Openeye Name: isopropyl (NE)-N-(6-chloro-3-cyano-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)carbamate CAS Name: (NE)-N-(6-chloro-3-cyano-1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl (NE)-N-(6-chloro-3-cyano-1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)carbamate Traditional Name: (NE)-N-(6-chloro-3-cyano-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)carbamic acid isopropyl ester Formula: C13H11ClN4O4 MolecularWeight: 322.70384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N=C1C(=[N+](C2=C(N1O)C=CC(=C2)Cl)[O-])C#N

Isomeric SMILES

CC(C)OC(=O)/N=C/1\C(=[N+](C2=C(N1O)C=CC(=C2)Cl)[O-])C#N

InChI

InChI=1S/C13H11ClN4O4/c1-7(2)22-13(19)16-12-11(6-15)17(20)10-5-8(14)3-4-9(10)18(12)21/h3-5,7,21H,1-2H3/b16-12+