[4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CN=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CN=C3)Br)OC

InChI

InChI=1S/C22H18BrN3O4/c1-14-3-6-16(7-4-14)22(28)30-19-8-5-15(9-20(19)29-2)11-25-26-21(27)17-10-18(23)13-24-12-17/h3-13H,1-2H3,(H,26,27)/b25-11+