2-[[(E)-3-(4-ethynylphenyl)but-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(4-ethynylphenyl)but-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(4-ethynylphenyl)but-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(4-ethynylphenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(4-ethynylphenyl)but-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-ethynylphenyl)but-2-enoyl]amino]benzoic acid Formula: C19H15NO3 MolecularWeight: 305.3273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=C(C=C2)C#C

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC=C(C=C2)C#C

InChI

InChI=1S/C19H15NO3/c1-3-14-8-10-15(11-9-14)13(2)12-18(21)20-17-7-5-4-6-16(17)19(22)23/h1,4-12H,2H3,(H,20,21)(H,22,23)/b13-12+