[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[4-[bis(fluoranyl)methoxy]phenyl]prop-2-enoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[4-[bis(fluoranyl)methoxy]phenyl]prop-2-enoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(difluoromethoxy)phenyl]-2-propenoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(difluoromethoxy)phenyl]acrylic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H18F2N2O6 MolecularWeight: 420.363526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C=CC2=CC=C(C=C2)OC(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C20H18F2N2O6/c1-12-9-16(17(24(27)28)10-13(12)2)23-18(25)11-29-19(26)8-5-14-3-6-15(7-4-14)30-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,25)/b8-5+