[2-methoxy-6-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [2-methoxy-6-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-methoxy-6-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-methoxy-6-[(E)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(E)-(isonicotinoylhydrazono)methyl]-6-methoxy-phenyl] ester Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)Br)C=NNC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)Br)/C=N/NC(=O)C3=CC=NC=C3

InChI

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