4-[phenyl(prop-2-ynoyl)amino]benzoic acid

Systemtic Name: 4-[phenyl(prop-2-ynoyl)amino]benzoic acid Openeye Name: 4-(N-prop-2-ynoylanilino)benzoic acid CAS Name: 4-[N-(1-oxoprop-2-ynyl)anilino]benzoic acid IUPAC Name: 4-(N-prop-2-ynoylanilino)benzoic acid Traditional Name: 4-(N-propioloylanilino)benzoic acid Formula: C16H11NO3 MolecularWeight: 265.26344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C#CC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H11NO3/c1-2-15(18)17(13-6-4-3-5-7-13)14-10-8-12(9-11-14)16(19)20/h1,3-11H,(H,19,20)