3-(4-acetamidophenyl)prop-2-ynoic acid; guanidine

Systemtic Name: 3-(4-acetamidophenyl)prop-2-ynoic acid; guanidine Openeye Name: 3-(4-acetamidophenyl)prop-2-ynoic acid; guanidine CAS Name: 3-(4-acetamidophenyl)-2-propynoic acid; guanidine IUPAC Name: 3-(4-acetamidophenyl)prop-2-ynoic acid; guanidine Traditional Name: 3-(4-acetamidophenyl)propiolic acid; guanidine Formula: C12H14N4O3 MolecularWeight: 262.26456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C#CC(=O)O.C(=N)(N)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C#CC(=O)O.C(=N)(N)N

InChI

InChI=1S/C11H9NO3.CH5N3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15;2-1(3)4/h2-3,5-6H,1H3,(H,12,13)(H,14,15);(H5,2,3,4)