[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H21BrN2O7 MolecularWeight: 493.30464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H21BrN2O7/c1-5-29-19-14(22)8-13(10-17(19)28-4)21(25)30-11-18-23-20(24-31-18)12-6-7-15(26-2)16(9-12)27-3/h6-10H,5,11H2,1-4H3