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

Systemtic Name: [4-[(E)-(hexadecanoylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(hexadecanoylhydrazono)methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-(1-oxohexadecylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(hexadecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-(hexadecanoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C31H43BrN2O4 MolecularWeight: 587.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NN=CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C31H43BrN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-30(35)34-33-24-25-20-21-28(29(22-25)37-2)38-31(36)26-17-16-18-27(32)23-26/h16-18,20-24H,3-15,19H2,1-2H3,(H,34,35)/b33-24+