(3S)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylate Openeye Name: (3S)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate CAS Name: (3S)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate IUPAC Name: (3S)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate Traditional Name: (3S)-1-keto-3,4-dihydro-2H-isoquinoline-3-carboxylate Formula: C10H8NO3- MolecularWeight: 190.17542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

C1[C@H](NC(=O)C2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-4,8H,5H2,(H,11,12)(H,13,14)/p-1/t8-/m0/s1