[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enoate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (E)-but-2-enoate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C14H13F3N2O5 MolecularWeight: 346.25863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C(=O)OC(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H13F3N2O5/c1-3-4-12(20)24-8(2)13(21)18-11-6-5-9(19(22)23)7-10(11)14(15,16)17/h3-8H,1-2H3,(H,18,21)/b4-3+