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

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-3-imino-2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-3-imino-2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-3-imino-2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-3-imino-2-[2-keto-2-[3-(trifluoromethyl)phenyl]ethyl]isoindoline-5-carboxylic acid Formula: C20H17F3N2O4 MolecularWeight: 406.35519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N2O4/c1-2-29-17-7-12-9-25(18(24)14(12)8-15(17)19(27)28)10-16(26)11-4-3-5-13(6-11)20(21,22)23/h3-8,24H,2,9-10H2,1H3,(H,27,28)