2-nitroethyl (E)-3-oxidanylidene-5-[2-(trifluoromethyl)phenyl]pent-4-enoate

Systemtic Name: 2-nitroethyl (E)-3-oxidanylidene-5-[2-(trifluoromethyl)phenyl]pent-4-enoate Openeye Name: 2-nitroethyl (E)-3-oxo-5-[2-(trifluoromethyl)phenyl]pent-4-enoate CAS Name: (E)-3-oxo-5-[2-(trifluoromethyl)phenyl]-4-pentenoic acid 2-nitroethyl ester IUPAC Name: 2-nitroethyl (E)-3-oxo-5-[2-(trifluoromethyl)phenyl]pent-4-enoate Traditional Name: (E)-3-keto-5-[2-(trifluoromethyl)phenyl]pent-4-enoic acid 2-nitroethyl ester Formula: C14H12F3NO5 MolecularWeight: 331.24399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F3NO5/c15-14(16,17)12-4-2-1-3-10(12)5-6-11(19)9-13(20)23-8-7-18(21)22/h1-6H,7-9H2/b6-5+