3-azanylidene-6-ethoxy-2-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-3-imino-2-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxo-ethyl]isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-3-imino-2-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-3-imino-2-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxoethyl]-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-3-imino-2-[2-keto-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]isoindoline-5-carboxylic acid Formula: C21H19F3N2O5 MolecularWeight: 436.38117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C=C3)OC)C(F)(F)F)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C=C3)OC)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H19F3N2O5/c1-3-31-18-7-12-9-26(19(25)13(12)8-14(18)20(28)29)10-16(27)11-4-5-17(30-2)15(6-11)21(22,23)24/h4-8,25H,3,9-10H2,1-2H3,(H,28,29)