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

Systemtic Name: [2-ethoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-ethoxy-4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-ethoxy-4-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-ethoxy-4-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CN=CC=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H18BrN3O4/c1-2-29-20-12-15(13-25-26-21(27)17-4-3-11-24-14-17)5-10-19(20)30-22(28)16-6-8-18(23)9-7-16/h3-14H,2H2,1H3,(H,26,27)/b25-13+