[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-azanylpropanoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-azanylpropanoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-aminopropanoate CAS Name: 2-aminopropanoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-aminopropanoate Traditional Name: 2-aminopropionic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H16F3NO6 MolecularWeight: 435.35005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4)N

Isomeric SMILES

CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4)N

InChI

InChI=1S/C21H16F3NO6/c1-10(25)20(27)30-12-3-4-13-15(9-12)31-19(21(22,23)24)17(18(13)26)11-2-5-14-16(8-11)29-7-6-28-14/h2-5,8-10H,6-7,25H2,1H3