[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

InChI

InChI=1S/C20H19BrN2O5/c1-11(19(24)22-14-6-4-13(21)5-7-14)28-20(25)16-9-12-8-15(26-2)10-17(27-3)18(12)23-16/h4-11,23H,1-3H3,(H,22,24)