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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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