[2-(trifluoromethyl)phenyl]methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid [2-(trifluoromethyl)benzyl] ester Formula: C19H15F3N2O6 MolecularWeight: 424.32741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O6/c20-19(21,22)14-5-2-1-4-12(14)11-29-17(25)6-3-9-23-15-8-7-13(24(27)28)10-16(15)30-18(23)26/h1-2,4-5,7-8,10H,3,6,9,11H2