[4-(2-ethyl-5-phenyl-pyrazol-3-yl)-4-oxidanylidene-but-2-ynyl]carbamic acid

Systemtic Name: [4-(2-ethyl-5-phenyl-pyrazol-3-yl)-4-oxidanylidene-but-2-ynyl]carbamic acid Openeye Name: [4-(2-ethyl-5-phenyl-pyrazol-3-yl)-4-oxo-but-2-ynyl]carbamic acid CAS Name: [4-(2-ethyl-5-phenyl-3-pyrazolyl)-4-oxobut-2-ynyl]carbamic acid IUPAC Name: [4-(2-ethyl-5-phenylpyrazol-3-yl)-4-oxobut-2-ynyl]carbamic acid Traditional Name: [4-(2-ethyl-5-phenyl-pyrazol-3-yl)-4-keto-but-2-ynyl]carbamic acid Formula: C16H15N3O3 MolecularWeight: 297.3086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C2=CC=CC=C2)C(=O)C#CCNC(=O)O

Isomeric SMILES

CCN1C(=CC(=N1)C2=CC=CC=C2)C(=O)C#CCNC(=O)O

InChI

InChI=1S/C16H15N3O3/c1-2-19-14(15(20)9-6-10-17-16(21)22)11-13(18-19)12-7-4-3-5-8-12/h3-5,7-8,11,17H,2,10H2,1H3,(H,21,22)