(E)-3-(5-propyl-1H-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-propyl-1H-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-propyl-1H-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(5-propyl-1H-pyrazol-4-yl)-2-propenoic acid IUPAC Name: (E)-3-(5-propyl-1H-pyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-propyl-1H-pyrazol-4-yl)acrylic acid Formula: C9H12N2O2 MolecularWeight: 180.20378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1)C=CC(=O)O

Isomeric SMILES

CCCC1=C(C=NN1)/C=C/C(=O)O

InChI

InChI=1S/C9H12N2O2/c1-2-3-8-7(6-10-11-8)4-5-9(12)13/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)/b5-4+