(4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-[4-(trifluoromethyloxy)phenyl]prop-2-enoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-[4-(trifluoromethyloxy)phenyl]prop-2-enoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(trifluoromethoxy)phenyl]-2-propenoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(trifluoromethoxy)phenyl]acrylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H13F3N2O6 MolecularWeight: 410.30083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C18H13F3N2O6/c19-18(20,21)29-14-6-1-11(2-7-14)3-8-16(24)28-10-13-5-4-12(17(22)25)9-15(13)23(26)27/h1-9H,10H2,(H2,22,25)/b8-3+