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

Systemtic Name: (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazinylidene]butanoic acid Openeye Name: (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazono]butanoic acid CAS Name: (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazinylidene]butanoic acid IUPAC Name: (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]hydrazinylidene]butanoic acid Traditional Name: (3Z)-3-[[9-(trifluoromethyl)-5H-[1,2,4]triazin[5,6-b]indol-3-yl]hydrazono]butyric acid Formula: C14H11F3N6O2 MolecularWeight: 352.27135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N6O2/c1-6(5-9(24)25)20-22-13-19-12-11(21-23-13)10-7(14(15,16)17)3-2-4-8(10)18-12/h2-4H,5H2,1H3,(H,24,25)(H2,18,19,22,23)/b20-6-