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

Systemtic Name: [4-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]phenyl] ester Formula: C21H16BrN3O3 MolecularWeight: 438.27404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O3/c1-14-2-6-16(7-3-14)21(27)28-19-8-4-15(5-9-19)11-24-25-20(26)17-10-18(22)13-23-12-17/h2-13H,1H3,(H,25,26)/b24-11+