4-[(3-ethynylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-ethynylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-ethynylanilino)-4-oxo-butanoic acid CAS Name: 4-(3-ethynylanilino)-4-oxobutanoic acid IUPAC Name: 4-(3-ethynylanilino)-4-oxobutanoic acid Traditional Name: 4-(3-ethynylanilino)-4-keto-butyric acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12(15)16/h1,3-5,8H,6-7H2,(H,13,14)(H,15,16)