[(Z)-1-acetamido-4-benzamido-5-oxidanylidene-5-prop-2-enoxy-pent-3-en-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(Z)-1-acetamido-4-benzamido-5-oxidanylidene-5-prop-2-enoxy-pent-3-en-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(Z)-1-(acetamidomethyl)-4-allyloxy-3-benzamido-4-oxo-but-2-enyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(Z)-1-acetamido-4-benzamido-5-oxo-5-prop-2-enoxypent-3-en-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(Z)-1-acetamido-4-benzamido-5-oxo-5-prop-2-enoxypent-3-en-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(Z)-1-(acetamidomethyl)-4-allyloxy-3-benzamido-4-keto-but-2-enyl]ammonium; 2,2,2-trifluoroacetate Formula: C19H22F3N3O6 MolecularWeight: 445.38969

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C=C(C(=O)OCC=C)NC(=O)C1=CC=CC=C1)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(=O)NCC(/C=C(/C(=O)OCC=C)\NC(=O)C1=CC=CC=C1)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C17H21N3O4.C2HF3O2/c1-3-9-24-17(23)15(10-14(18)11-19-12(2)21)20-16(22)13-7-5-4-6-8-13;3-2(4,5)1(6)7/h3-8,10,14H,1,9,11,18H2,2H3,(H,19,21)(H,20,22);(H,6,7)/b15-10-;