3-(phenylmethyl)-2-(prop-2-enylcarbamoyl)-4H-pyrazole-3-carboxylic acid

Systemtic Name: 3-(phenylmethyl)-2-(prop-2-enylcarbamoyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 2-(allylcarbamoyl)-3-benzyl-4H-pyrazole-3-carboxylic acid CAS Name: 2-[oxo-(prop-2-enylamino)methyl]-3-(phenylmethyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 3-benzyl-2-(prop-2-enylcarbamoyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 2-(allylcarbamoyl)-3-benzyl-2-pyrazoline-3-carboxylic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1C(CC=N1)(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=CCNC(=O)N1C(CC=N1)(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-2-9-16-14(21)18-15(13(19)20,8-10-17-18)11-12-6-4-3-5-7-12/h2-7,10H,1,8-9,11H2,(H,16,21)(H,19,20)