[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[4-[bis(fluoranyl)methoxy]phenyl]prop-2-enoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[4-[bis(fluoranyl)methoxy]phenyl]prop-2-enoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(difluoromethoxy)phenyl]-2-propenoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(difluoromethoxy)phenyl]acrylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C18H14F2N2O6 MolecularWeight: 392.310366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC(F)F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C18H14F2N2O6/c19-18(20)28-15-8-1-12(2-9-15)3-10-17(24)27-11-16(23)21-13-4-6-14(7-5-13)22(25)26/h1-10,18H,11H2,(H,21,23)/b10-3+