(3S)-1-oxidanylidene-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylate

Systemtic Name: (3S)-1-oxidanylidene-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylate Openeye Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylate CAS Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylate IUPAC Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-3,4-dihydro-2H-isoquinoline-6-carboxylate Formula: C16H12NO3- MolecularWeight: 266.27138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C2=C1C=C(C=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1[C@H](NC(=O)C2=C1C=C(C=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13NO3/c18-15-13-7-6-11(16(19)20)8-12(13)9-14(17-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,17,18)(H,19,20)/p-1/t14-/m0/s1