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

Systemtic Name: 5-bromanyl-1-[(4-butoxyphenyl)methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[(4-butoxyphenyl)methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[(4-butoxyphenyl)methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[(4-butoxyphenyl)methyl]indole-2,3-dione Traditional Name: 5-bromo-1-(4-butoxybenzyl)isatin Formula: C19H18BrNO3 MolecularWeight: 388.25512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C19H18BrNO3/c1-2-3-10-24-15-7-4-13(5-8-15)12-21-17-9-6-14(20)11-16(17)18(22)19(21)23/h4-9,11H,2-3,10,12H2,1H3