3-[2-(4-chlorophenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-5-yl]propanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-5-yl]propanoic acid Openeye Name: 3-[2-(4-chlorophenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-5-yl]propanoic acid CAS Name: 3-[2-(4-chlorophenyl)-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazol-5-yl]propanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazol-5-yl]propanoic acid Traditional Name: 3-[1-(4-chlorophenyl)-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-pyrazolin-3-yl]propionic acid Formula: C18H15ClN2O3 MolecularWeight: 342.7763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C=C(NN2C3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C2C=C(NN2C3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C18H15ClN2O3/c19-13-3-6-15(7-4-13)21-17(12-1-8-16(22)9-2-12)11-14(20-21)5-10-18(23)24/h1-4,6-9,11,20H,5,10H2,(H,23,24)