3-butyl-2-oxidanyl-1,6,7,8-tetrahydroquinoline-4,5-dione

Systemtic Name: 3-butyl-2-oxidanyl-1,6,7,8-tetrahydroquinoline-4,5-dione Openeye Name: 3-butyl-2-hydroxy-1,6,7,8-tetrahydroquinoline-4,5-dione CAS Name: 3-butyl-2-hydroxy-1,6,7,8-tetrahydroquinoline-4,5-dione IUPAC Name: 3-butyl-2-hydroxy-1,6,7,8-tetrahydroquinoline-4,5-dione Traditional Name: 3-butyl-2-hydroxy-1,6,7,8-tetrahydroquinoline-4,5-quinone Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC2=C(C1=O)C(=O)CCC2)O

Isomeric SMILES

CCCCC1=C(NC2=C(C1=O)C(=O)CCC2)O

InChI

InChI=1S/C13H17NO3/c1-2-3-5-8-12(16)11-9(14-13(8)17)6-4-7-10(11)15/h2-7H2,1H3,(H2,14,16,17)