(E)-4-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]-3-ethoxycarbonyl-but-3-enoic acid

Systemtic Name: (E)-4-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]-3-ethoxycarbonyl-but-3-enoic acid Openeye Name: (E)-4-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]-3-ethoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]-3-ethoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]-3-ethoxycarbonylbut-3-enoic acid Traditional Name: (E)-3-carbethoxy-4-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]but-3-enoic acid Formula: C16H15ClN2O4 MolecularWeight: 334.7543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(NN=C1)C2=CC=CC=C2Cl)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(NN=C1)C2=CC=CC=C2Cl)/CC(=O)O

InChI

InChI=1S/C16H15ClN2O4/c1-2-23-16(22)10(8-14(20)21)7-11-9-18-19-15(11)12-5-3-4-6-13(12)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21)/b10-7+