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

Systemtic Name: [4-bromanyl-2-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-bromo-2-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C22H18BrN3O5 MolecularWeight: 484.29942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C22H18BrN3O5/c1-29-19-7-5-14(11-20(19)30-2)22(28)31-18-8-6-17(23)10-16(18)13-25-26-21(27)15-4-3-9-24-12-15/h3-13H,1-2H3,(H,26,27)/b25-13+