ethyl 4-[4-[(Z)-indol-3-ylidenemethyl]-3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate

Systemtic Name: ethyl 4-[4-[(Z)-indol-3-ylidenemethyl]-3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Openeye Name: ethyl 4-[4-[(Z)-indol-3-ylidenemethyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate CAS Name: 4-[4-[(Z)-3-indolylidenemethyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(Z)-indol-3-ylidenemethyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(Z)-indol-3-ylidenemethyl]-5-keto-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C22H16F3N3O3 MolecularWeight: 427.37595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(F)(F)F)C=C3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(F)(F)F)/C=C/3\C=NC4=CC=CC=C43

InChI

InChI=1S/C22H16F3N3O3/c1-2-31-21(30)13-7-9-15(10-8-13)28-20(29)17(19(27-28)22(23,24)25)11-14-12-26-18-6-4-3-5-16(14)18/h3-12,27H,2H2,1H3/b14-11+