(E)-3-ethoxycarbonyl-4-(5-methyl-1H-pyrazol-4-yl)but-3-enoic acid

Systemtic Name: (E)-3-ethoxycarbonyl-4-(5-methyl-1H-pyrazol-4-yl)but-3-enoic acid Openeye Name: (E)-3-ethoxycarbonyl-4-(5-methyl-1H-pyrazol-4-yl)but-3-enoic acid CAS Name: (E)-3-ethoxycarbonyl-4-(5-methyl-1H-pyrazol-4-yl)-3-butenoic acid IUPAC Name: (E)-3-ethoxycarbonyl-4-(5-methyl-1H-pyrazol-4-yl)but-3-enoic acid Traditional Name: (E)-3-carbethoxy-4-(5-methyl-1H-pyrazol-4-yl)but-3-enoic acid Formula: C11H14N2O4 MolecularWeight: 238.23986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NN=C1)C)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NN=C1)C)/CC(=O)O

InChI

InChI=1S/C11H14N2O4/c1-3-17-11(16)8(5-10(14)15)4-9-6-12-13-7(9)2/h4,6H,3,5H2,1-2H3,(H,12,13)(H,14,15)/b8-4+