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(3S)-6,7-dimethoxy-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid

(3S)-6,7-dimethoxy-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid

Systemtic Name:(3S)-6,7-dimethoxy-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
Openeye Name:(3S)-6,7-dimethoxy-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
CAS Name:(3S)-6,7-dimethoxy-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
IUPAC Name:(3S)-6,7-dimethoxy-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
Traditional Name:(3S)-1-keto-6,7-dimethoxy-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
Formula: C12H13NO5
MolecularWeight: 251.23532
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(NC2=O)C(=O)O)OC


Isomeric SMILES

COC1=C(C=C2C(=C1)C[C@H](NC2=O)C(=O)O)OC


InChI

InChI=1S/C12H13NO5/c1-17-9-4-6-3-8(12(15)16)13-11(14)7(6)5-10(9)18-2/h4-5,8H,3H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1


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