4-bromanyl-1-(2-methylpropylamino)-5-oxidanyl-anthracene-9,10-dione

Systemtic Name: 4-bromanyl-1-(2-methylpropylamino)-5-oxidanyl-anthracene-9,10-dione Openeye Name: 4-bromo-5-hydroxy-1-(isobutylamino)anthracene-9,10-dione CAS Name: 4-bromo-5-hydroxy-1-(2-methylpropylamino)anthracene-9,10-dione IUPAC Name: 4-bromo-5-hydroxy-1-(2-methylpropylamino)anthracene-9,10-dione Traditional Name: 4-bromo-5-hydroxy-1-(isobutylamino)-9,10-anthraquinone Formula: C18H16BrNO3 MolecularWeight: 374.22854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C2C(=C(C=C1)Br)C(=O)C3=C(C2=O)C=CC=C3O

Isomeric SMILES

CC(C)CNC1=C2C(=C(C=C1)Br)C(=O)C3=C(C2=O)C=CC=C3O

InChI

InChI=1S/C18H16BrNO3/c1-9(2)8-20-12-7-6-11(19)15-16(12)17(22)10-4-3-5-13(21)14(10)18(15)23/h3-7,9,20-21H,8H2,1-2H3