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

Systemtic Name: [4-[(E)-[2-(4-bromanylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C27H27BrN2O6 MolecularWeight: 555.41708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC=C(C=C3)Br)OC

Isomeric SMILES

CCCCOC1=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/C27H27BrN2O6/c1-3-4-15-34-22-10-6-20(7-11-22)27(32)36-24-14-5-19(16-25(24)33-2)17-29-30-26(31)18-35-23-12-8-21(28)9-13-23/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,30,31)/b29-17+