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

Systemtic Name: propan-2-yl (NE)-N-[6,7-bis(chloranyl)-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene]carbamate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C13H10Cl2N4O4 MolecularWeight: 357.1489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N4O4/c1-6(2)23-13(20)17-12-11(5-16)18(21)9-3-7(14)8(15)4-10(9)19(12)22/h3-4,6,22H,1-2H3/b17-12+