[4-[(E)-[2-(4-bromanylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-propoxybenzoate

Systemtic Name: [4-[(E)-[2-(4-bromanylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-propoxybenzoate Openeye Name: [4-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[(E)-[[2-(4-bromophenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C26H25BrN2O6 MolecularWeight: 541.3905

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC=C(C=C3)Br)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C26H25BrN2O6/c1-3-14-33-21-9-5-19(6-10-21)26(31)35-23-13-4-18(15-24(23)32-2)16-28-29-25(30)17-34-22-11-7-20(27)8-12-22/h4-13,15-16H,3,14,17H2,1-2H3,(H,29,30)/b28-16+