2-[2-bromanyl-6-ethoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-bromanyl-6-ethoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-bromo-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]-N-(p-tolyl)acetamide CAS Name: 2-[2-bromo-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[2-bromo-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide Traditional Name: 2-[2-bromo-6-ethoxy-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenoxy]-N-(p-tolyl)acetamide Formula: C28H26BrN3O4 MolecularWeight: 548.42774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C28H26BrN3O4/c1-4-35-25-16-20(14-23-19(3)31-32(28(23)34)22-8-6-5-7-9-22)15-24(29)27(25)36-17-26(33)30-21-12-10-18(2)11-13-21/h5-16H,4,17H2,1-3H3,(H,30,33)/b23-14+