[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C18H12ClF3N2O5 MolecularWeight: 428.74649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClF3N2O5/c19-14-6-5-13(24(27)28)9-15(14)23-16(25)10-29-17(26)7-4-11-2-1-3-12(8-11)18(20,21)22/h1-9H,10H2,(H,23,25)/b7-4+