3-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-1H-pyridazino[4,3-b]indole-4-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-1H-pyridazino[4,3-b]indole-4-carboxylic acid Openeye Name: 3-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyridazino[4,3-b]indole-4-carboxylic acid CAS Name: 3-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyridazino[4,3-b]indole-4-carboxylic acid IUPAC Name: 3-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyridazino[4,3-b]indole-4-carboxylic acid Traditional Name: 3-keto-2-[4-(trifluoromethoxy)phenyl]-1H-pyridazin[4,3-b]indole-4-carboxylic acid Formula: C18H10F3N3O4 MolecularWeight: 389.28491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C(=O)N(N3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)O)N=C2C=C1

Isomeric SMILES

C1=CC2=C3C(=C(C(=O)N(N3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)O)N=C2C=C1

InChI

InChI=1S/C18H10F3N3O4/c19-18(20,21)28-10-7-5-9(6-8-10)24-16(25)13(17(26)27)15-14(23-24)11-3-1-2-4-12(11)22-15/h1-8,23H,(H,26,27)