4-oxidanylidene-4-[2-[[4-(trifluoromethyl)phenyl]amino]ethylamino]but-2-enoic acid

Systemtic Name: 4-oxidanylidene-4-[2-[[4-(trifluoromethyl)phenyl]amino]ethylamino]but-2-enoic acid Openeye Name: 4-oxo-4-[2-[4-(trifluoromethyl)anilino]ethylamino]but-2-enoic acid CAS Name: 4-oxo-4-[2-[4-(trifluoromethyl)anilino]ethylamino]-2-butenoic acid IUPAC Name: 4-oxo-4-[2-[4-(trifluoromethyl)anilino]ethylamino]but-2-enoic acid Traditional Name: 4-keto-4-[2-[4-(trifluoromethyl)anilino]ethylamino]but-2-enoic acid Formula: C13H13F3N2O3 MolecularWeight: 302.24913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NCCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NCCNC(=O)C=CC(=O)O

InChI

InChI=1S/C13H13F3N2O3/c14-13(15,16)9-1-3-10(4-2-9)17-7-8-18-11(19)5-6-12(20)21/h1-6,17H,7-8H2,(H,18,19)(H,20,21)