2-[4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-iodanyl-6-methoxy-phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-iodanyl-6-methoxy-phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-iodo-6-methoxy-phenoxy]-N-phenyl-acetamide CAS Name: 2-[4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide IUPAC Name: 2-[4-[(E)-[1-(3-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide Traditional Name: 2-[4-[(E)-[1-(3-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-iodo-6-methoxy-phenoxy]-N-phenyl-acetamide Formula: C26H21BrIN3O4 MolecularWeight: 646.27111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OCC(=O)NC3=CC=CC=C3)OC)C4=CC(=CC=C4)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)I)OCC(=O)NC3=CC=CC=C3)OC)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H21BrIN3O4/c1-16-21(26(33)31(30-16)20-10-6-7-18(27)14-20)11-17-12-22(28)25(23(13-17)34-2)35-15-24(32)29-19-8-4-3-5-9-19/h3-14H,15H2,1-2H3,(H,29,32)/b21-11+