[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C14H13F3N2O5 MolecularWeight: 346.25863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC(=CC(=O)OCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C14H13F3N2O5/c1-8(2)5-13(21)24-7-12(20)18-10-4-3-9(14(15,16)17)6-11(10)19(22)23/h3-6H,7H2,1-2H3,(H,18,20)