(3S)-3-[(2S)-butan-2-yl]-4-methyl-3-oxidanyl-2H-pyrrolo[3,4-b]quinoline-1,9-dione

Systemtic Name: (3S)-3-[(2S)-butan-2-yl]-4-methyl-3-oxidanyl-2H-pyrrolo[3,4-b]quinoline-1,9-dione Openeye Name: (3S)-3-hydroxy-4-methyl-3-[(1S)-1-methylpropyl]-2H-pyrrolo[3,4-b]quinoline-1,9-dione CAS Name: (3S)-3-[(2S)-butan-2-yl]-3-hydroxy-4-methyl-2H-pyrrolo[3,4-b]quinoline-1,9-dione IUPAC Name: (3S)-3-[(2S)-butan-2-yl]-3-hydroxy-4-methyl-2H-pyrrolo[3,4-b]quinoline-1,9-dione Traditional Name: (3S)-3-hydroxy-4-methyl-3-[(1S)-1-methylpropyl]-2H-pyrrolo[3,4-b]quinoline-1,9-quinone Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1)O

Isomeric SMILES

CC[C@H](C)[C@@]1(C2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1)O

InChI

InChI=1S/C16H18N2O3/c1-4-9(2)16(21)14-12(15(20)17-16)13(19)10-7-5-6-8-11(10)18(14)3/h5-9,21H,4H2,1-3H3,(H,17,20)/t9-,16-/m0/s1