(3S,4R)-3-(4-nitrophenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3S,4R)-3-(4-nitrophenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-2-benzyl-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-3-(4-nitrophenyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-2-benzyl-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-2-benzyl-1-keto-3-(4-nitrophenyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C23H17N2O5- MolecularWeight: 401.39148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O5/c26-22-19-9-5-4-8-18(19)20(23(27)28)21(16-10-12-17(13-11-16)25(29)30)24(22)14-15-6-2-1-3-7-15/h1-13,20-21H,14H2,(H,27,28)/p-1/t20-,21-/m1/s1