8-[(2-methylpropylamino)methyl]-7-oxidanyl-chromen-2-one hydrobromide

Systemtic Name: 8-[(2-methylpropylamino)methyl]-7-oxidanyl-chromen-2-one hydrobromide Openeye Name: 7-hydroxy-8-[(isobutylamino)methyl]chromen-2-one hydrobromide CAS Name: 7-hydroxy-8-[(2-methylpropylamino)methyl]-1-benzopyran-2-one hydrobromide IUPAC Name: 7-hydroxy-8-[(2-methylpropylamino)methyl]chromen-2-one hydrobromide Traditional Name: 7-hydroxy-8-[(isobutylamino)methyl]coumarin hydrobromide Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=C(C=CC2=C1OC(=O)C=C2)O.Br

Isomeric SMILES

CC(C)CNCC1=C(C=CC2=C1OC(=O)C=C2)O.Br

InChI

InChI=1S/C14H17NO3.BrH/c1-9(2)7-15-8-11-12(16)5-3-10-4-6-13(17)18-14(10)11;/h3-6,9,15-16H,7-8H2,1-2H3;1H