5-bromanyl-1-[(4-pentoxyphenyl)methyl]indole-2,3-dione

Systemtic Name: 5-bromanyl-1-[(4-pentoxyphenyl)methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[(4-pentoxyphenyl)methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[(4-pentoxyphenyl)methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[(4-pentoxyphenyl)methyl]indole-2,3-dione Traditional Name: 1-(4-amoxybenzyl)-5-bromo-isatin Formula: C20H20BrNO3 MolecularWeight: 402.2817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C20H20BrNO3/c1-2-3-4-11-25-16-8-5-14(6-9-16)13-22-18-10-7-15(21)12-17(18)19(23)20(22)24/h5-10,12H,2-4,11,13H2,1H3