5-(1H-isoindol-5-ylamino)-3-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5-(1H-isoindol-5-ylamino)-3-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 5-(1H-isoindol-5-ylamino)-3-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 5-(1H-isoindol-5-ylamino)-3-(trifluoromethyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 5-(1H-isoindol-5-ylamino)-3-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 5-(1H-isoindol-5-ylamino)-3-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C16H13F3N2O2 MolecularWeight: 322.28183

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C(C=C1NC2=CC3=C(CN=C3)C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C=C(C=C1NC2=CC3=C(CN=C3)C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H13F3N2O2/c17-16(18,19)12-3-10(15(22)23)4-14(6-12)21-13-2-1-9-7-20-8-11(9)5-13/h1-3,5-6,8,10,21H,4,7H2,(H,22,23)