[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H16BrN3O5 MolecularWeight: 458.26214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C20H16BrN3O5/c1-26-14-7-12-8-15(22-18(12)16(9-14)27-2)20(25)28-10-17-23-19(24-29-17)11-4-3-5-13(21)6-11/h3-9,22H,10H2,1-2H3