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

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-methoxy-4-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-methoxy-4-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O4/c1-28-19-11-14(12-24-25-20(26)16-3-2-10-23-13-16)4-9-18(19)29-21(27)15-5-7-17(22)8-6-15/h2-13H,1H3,(H,25,26)/b24-12+