2-(3-chlorophenyl)-4-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(3-chlorophenyl)-4-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(3-chlorophenyl)-4-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(3-chlorophenyl)-4-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(3-chlorophenyl)-4-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(3-chlorophenyl)-4-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C18H14ClIN2O3 MolecularWeight: 468.67283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C=C(C(=O)C(=C3)I)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C=C(C(=O)C(=C3)I)OC

InChI

InChI=1S/C18H14ClIN2O3/c1-10-14(6-11-7-15(20)17(23)16(8-11)25-2)18(24)22(21-10)13-5-3-4-12(19)9-13/h3-9,21H,1-2H3