(E)-4-[(3-ethynylphenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-ethynylphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(3-ethynylanilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(3-ethynylanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(3-ethynylanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(3-ethynylanilino)-4-keto-but-2-enoic acid Formula: C12H9NO3 MolecularWeight: 215.20476

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H9NO3/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12(15)16/h1,3-8H,(H,13,14)(H,15,16)/b7-6+