(3R,4S)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3R,4S)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3R,4S)-3-(5-bromo-2-hydroxy-phenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4S)-3-(5-bromo-2-hydroxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3R,4S)-3-(5-bromo-2-hydroxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4S)-3-(5-bromo-2-hydroxy-phenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylate Formula: C17H13BrNO4- MolecularWeight: 375.19342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)[O-])C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CN1[C@H]([C@H](C2=CC=CC=C2C1=O)C(=O)[O-])C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H14BrNO4/c1-19-15(12-8-9(18)6-7-13(12)20)14(17(22)23)10-4-2-3-5-11(10)16(19)21/h2-8,14-15,20H,1H3,(H,22,23)/p-1/t14-,15-/m0/s1