(3S)-2-(2-hydroxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(2-hydroxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylate Openeye Name: (3S)-2-(2-hydroxyethyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylate CAS Name: (3S)-2-(2-hydroxyethyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylate IUPAC Name: (3S)-2-(2-hydroxyethyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylate Traditional Name: (3S)-2-(2-hydroxyethyl)-1-keto-3,4-dihydroisoquinoline-3-carboxylate Formula: C12H12NO4- MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c14-6-5-13-10(12(16)17)7-8-3-1-2-4-9(8)11(13)15/h1-4,10,14H,5-7H2,(H,16,17)/p-1/t10-/m0/s1