[3-[[4-[(3,4-dimethoxyphenyl)carbonylamino]butanoylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [3-[[4-[(3,4-dimethoxyphenyl)carbonylamino]butanoylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [3-[[4-[(3,4-dimethoxybenzoyl)amino]butanoylhydrazono]methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-[[[4-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1-oxobutyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[4-[(3,4-dimethoxybenzoyl)amino]butanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-[[4-(veratroylamino)butanoylhydrazono]methyl]phenyl] ester Formula: C27H26BrN3O6 MolecularWeight: 568.41584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Br)OC

InChI

InChI=1S/C27H26BrN3O6/c1-35-23-13-12-19(16-24(23)36-2)26(33)29-14-6-11-25(32)31-30-17-18-7-5-8-20(15-18)37-27(34)21-9-3-4-10-22(21)28/h3-5,7-10,12-13,15-17H,6,11,14H2,1-2H3,(H,29,33)(H,31,32)