4-[(5E)-5-[2,3-di(propan-2-yl)-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[(5E)-5-[2,3-di(propan-2-yl)-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid Openeye Name: 4-[(5E)-5-(2,3-diisopropyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid CAS Name: 4-[(5E)-5-[2,3-di(propan-2-yl)-1H-pyrazol-5-ylidene]-2-pyrrolyl]benzoic acid IUPAC Name: 4-[(5E)-5-[2,3-di(propan-2-yl)-1H-pyrazol-5-ylidene]pyrrol-2-yl]benzoic acid Traditional Name: 4-[(5E)-5-(1,5-diisopropyl-3-pyrazolin-3-ylidene)pyrrol-2-yl]benzoic acid Formula: C20H23N3O2 MolecularWeight: 337.41552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C=CC(=N2)C3=CC=C(C=C3)C(=O)O)NN1C(C)C

Isomeric SMILES

CC(C)C1=C/C(=C\2/C=CC(=N2)C3=CC=C(C=C3)C(=O)O)/NN1C(C)C

InChI

InChI=1S/C20H23N3O2/c1-12(2)19-11-18(22-23(19)13(3)4)17-10-9-16(21-17)14-5-7-15(8-6-14)20(24)25/h5-13,22H,1-4H3,(H,24,25)/b18-17+