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

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 2-bromanylbenzoate Openeye Name: [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-methoxy-4-[(E)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(E)-(isonicotinoylhydrazono)methyl]-2-methoxy-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=CC=NC=C2)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)OC(=O)C3=CC=CC=C3Br

InChI

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