7-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 7-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-4-(trifluoromethyl)chromen-2-one Openeye Name: 7-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-4-(trifluoromethyl)chromen-2-one CAS Name: 7-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethoxy]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 7-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]-4-(trifluoromethyl)chromen-2-one Traditional Name: 7-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-4-(trifluoromethyl)coumarin Formula: C21H18F3NO4 MolecularWeight: 405.36713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C21H18F3NO4/c1-4-7-25-12(2)8-16(13(25)3)18(26)11-28-14-5-6-15-17(21(22,23)24)10-20(27)29-19(15)9-14/h4-6,8-10H,1,7,11H2,2-3H3