4-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-3-pyrazolin-3-one Formula: C19H17IN2O3 MolecularWeight: 448.25435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)I)C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)I)C)C=CC1=O

InChI

InChI=1S/C19H17IN2O3/c1-3-25-18-11-13(4-9-17(18)23)10-16-12(2)21-22(19(16)24)15-7-5-14(20)6-8-15/h4-11,21H,3H2,1-2H3