5-[(7-fluoranyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid

Systemtic Name: 5-[(7-fluoranyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)amino]-5-oxidanylidene-3-(trifluoromethyl)pentanoic acid Openeye Name: 5-[(4-allyl-7-fluoro-3-oxo-1,4-benzoxazin-6-yl)amino]-5-oxo-3-(trifluoromethyl)pentanoic acid CAS Name: 5-[(7-fluoro-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)amino]-5-oxo-3-(trifluoromethyl)pentanoic acid IUPAC Name: 5-[(7-fluoro-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)amino]-5-oxo-3-(trifluoromethyl)pentanoic acid Traditional Name: 5-[(4-allyl-7-fluoro-3-keto-1,4-benzoxazin-6-yl)amino]-5-keto-3-(trifluoromethyl)valeric acid Formula: C17H16F4N2O5 MolecularWeight: 404.312953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)COC2=CC(=C(C=C21)NC(=O)CC(CC(=O)O)C(F)(F)F)F

Isomeric SMILES

C=CCN1C(=O)COC2=CC(=C(C=C21)NC(=O)CC(CC(=O)O)C(F)(F)F)F

InChI

InChI=1S/C17H16F4N2O5/c1-2-3-23-12-7-11(10(18)6-13(12)28-8-15(23)25)22-14(24)4-9(5-16(26)27)17(19,20)21/h2,6-7,9H,1,3-5,8H2,(H,22,24)(H,26,27)