[4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C20H14BrN3O3 MolecularWeight: 424.24746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O3/c21-17-5-1-3-15(11-17)20(26)27-18-8-6-14(7-9-18)12-23-24-19(25)16-4-2-10-22-13-16/h1-13H,(H,24,25)/b23-12+