(E)-3-diazonio-4-phenyl-4-[2,2,2-tris(chloranyl)ethanoylamino]but-2-en-2-olate

Systemtic Name: (E)-3-diazonio-4-phenyl-4-[2,2,2-tris(chloranyl)ethanoylamino]but-2-en-2-olate Openeye Name: (E)-3-diazonio-4-phenyl-4-[(2,2,2-trichloroacetyl)amino]but-2-en-2-olate CAS Name: (E)-3-diazonio-4-phenyl-4-[(2,2,2-trichloro-1-oxoethyl)amino]-2-buten-2-olate IUPAC Name: (E)-3-diazonio-4-phenyl-4-[(2,2,2-trichloroacetyl)amino]but-2-en-2-olate Traditional Name: (E)-3-diazonio-4-phenyl-4-[(2,2,2-trichloroacetyl)amino]but-2-en-2-olate Formula: C12H10Cl3N3O2 MolecularWeight: 334.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C1=CC=CC=C1)NC(=O)C(Cl)(Cl)Cl)[N+]#N)[O-]

Isomeric SMILES

C/C(=C(/C(C1=CC=CC=C1)NC(=O)C(Cl)(Cl)Cl)\[N+]#N)/[O-]

InChI

InChI=1S/C12H10Cl3N3O2/c1-7(19)9(18-16)10(8-5-3-2-4-6-8)17-11(20)12(13,14)15/h2-6,10H,1H3,(H-,17,19,20)/b9-7+