[2-methoxy-4-[(E)-[(4-prop-2-enoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-[(4-prop-2-enoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-[(4-allyloxybenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-methoxy-4-[(E)-[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-[(4-allyloxybenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C25H21BrN2O5 MolecularWeight: 509.34864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)OCC=C)OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN2O5/c1-3-13-32-21-10-8-18(9-11-21)24(29)28-27-16-17-7-12-22(23(14-17)31-2)33-25(30)19-5-4-6-20(26)15-19/h3-12,14-16H,1,13H2,2H3,(H,28,29)/b27-16+