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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O5/c1-14-6-10-16(11-7-14)24-21(15-8-12-17(13-9-15)25(29)30)20(23(27)28)18-4-2-3-5-19(18)22(24)26/h2-13,20-21H,1H3,(H,27,28)/t20-,21-/m1/s1