2-[(5S)-7,7-dimethyl-5-oxidanyl-2-oxidanylidene-6,8-dihydro-5H-quinolin-1-yl]ethanoate

Systemtic Name: 2-[(5S)-7,7-dimethyl-5-oxidanyl-2-oxidanylidene-6,8-dihydro-5H-quinolin-1-yl]ethanoate Openeye Name: 2-[(5S)-5-hydroxy-7,7-dimethyl-2-oxo-6,8-dihydro-5H-quinolin-1-yl]acetate CAS Name: 2-[(5S)-5-hydroxy-7,7-dimethyl-2-oxo-6,8-dihydro-5H-quinolin-1-yl]acetate IUPAC Name: 2-[(5S)-5-hydroxy-7,7-dimethyl-2-oxo-6,8-dihydro-5H-quinolin-1-yl]acetate Traditional Name: 2-[(5S)-5-hydroxy-2-keto-7,7-dimethyl-6,8-dihydro-5H-quinolin-1-yl]acetate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)N(C(=O)C=C2)CC(=O)[O-])O)C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(C(=O)C=C2)CC(=O)[O-])O)C

InChI

InChI=1S/C13H17NO4/c1-13(2)5-9-8(10(15)6-13)3-4-11(16)14(9)7-12(17)18/h3-4,10,15H,5-7H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1