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

Systemtic Name: (3S,4R)-3-(3-nitrophenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-benzyl-3-(3-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(3-nitrophenyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-benzyl-3-(3-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-benzyl-1-keto-3-(3-nitrophenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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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(=CC=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(=CC=C4)[N+](=O)[O-]

InChI

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