5-bromanyl-1-[(4-butoxy-3-methoxy-phenyl)methyl]indole-2,3-dione

Systemtic Name: 5-bromanyl-1-[(4-butoxy-3-methoxy-phenyl)methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[(4-butoxy-3-methoxy-phenyl)methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[(4-butoxy-3-methoxyphenyl)methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[(4-butoxy-3-methoxyphenyl)methyl]indole-2,3-dione Traditional Name: 5-bromo-1-(4-butoxy-3-methoxy-benzyl)isatin Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO4/c1-3-4-9-26-17-8-5-13(10-18(17)25-2)12-22-16-7-6-14(21)11-15(16)19(23)20(22)24/h5-8,10-11H,3-4,9,12H2,1-2H3