(E)-4-oxidanylidene-4-[[2-(2-phenylethynyl)phenyl]amino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[[2-(2-phenylethynyl)phenyl]amino]but-2-enoate Openeye Name: (E)-4-oxo-4-[2-(2-phenylethynyl)anilino]but-2-enoate CAS Name: (E)-4-oxo-4-[2-(2-phenylethynyl)anilino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[2-(2-phenylethynyl)anilino]but-2-enoate Traditional Name: (E)-4-keto-4-[2-(2-phenylethynyl)anilino]but-2-enoate Formula: C18H12NO3- MolecularWeight: 290.29278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C18H13NO3/c20-17(12-13-18(21)22)19-16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-9,12-13H,(H,19,20)(H,21,22)/p-1/b13-12+