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

Systemtic Name: 4-[(E)-(3-bromanyl-2-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Openeye Name: 4-[(E)-(3-bromo-2-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: 4-[(E)-(3-bromo-2-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 4-[(E)-(3-bromo-2-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Traditional Name: 4-[(E)-(3-bromo-2-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(p-tolyl)-3-pyrazolin-3-one Formula: C19H16BrIN2O3 MolecularWeight: 527.15041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=C(C(=O)C(=C3I)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)/C=C/3\C=C(C(=O)C(=C3I)Br)OC

InChI

InChI=1S/C19H16BrIN2O3/c1-10-4-6-13(7-5-10)23-19(25)14(11(2)22-23)8-12-9-15(26-3)18(24)16(20)17(12)21/h4-9,22H,1-3H3/b12-8+