(3-fluoranyl-4-methoxy-phenyl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (3-fluoro-4-methoxy-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 (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)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 (3-fluoro-4-methoxy-benzyl) ester Formula: C19H17FN2O7 MolecularWeight: 404.345883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)F

InChI

InChI=1S/C19H17FN2O7/c1-27-16-7-4-12(9-14(16)20)11-28-18(23)3-2-8-21-15-6-5-13(22(25)26)10-17(15)29-19(21)24/h4-7,9-10H,2-3,8,11H2,1H3