ethyl (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazinylidene]butanoate

Systemtic Name: ethyl (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazinylidene]butanoate Openeye Name: ethyl (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazono]butanoate CAS Name: (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazinylidene]butanoic acid ethyl ester IUPAC Name: ethyl (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazinylidene]butanoate Traditional Name: (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazin[5,6-b]indol-3-yl]hydrazono]butyric acid ethyl ester Formula: C16H15F3N6O2 MolecularWeight: 380.32451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=NNC1=NC2=C(C3=C(C=CC=C3N2)C(F)(F)F)N=N1)C

Isomeric SMILES

CCOC(=O)C/C(=N\NC1=NC2=C(C3=C(C=CC=C3N2)C(F)(F)F)N=N1)/C

InChI

InChI=1S/C16H15F3N6O2/c1-3-27-11(26)7-8(2)22-24-15-21-14-13(23-25-15)12-9(16(17,18)19)5-4-6-10(12)20-14/h4-6H,3,7H2,1-2H3,(H2,20,21,24,25)/b22-8-