[4-bromanyl-2-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-bromo-2-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-bromo-2-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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