(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(difluoromethoxy)-5-methoxy-2-nitro-benzoate CAS Name: 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate Traditional Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H17F2NO8 MolecularWeight: 449.358386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC(F)F)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC(F)F)OC)C

InChI

InChI=1S/C21H17F2NO8/c1-10-4-13-12(6-19(25)31-16(13)5-11(10)2)9-30-20(26)14-7-17(29-3)18(32-21(22)23)8-15(14)24(27)28/h4-8,21H,9H2,1-3H3