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

Systemtic Name: (3S,4R)-2-cyclopentyl-3-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-2-cyclopentyl-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-2-cyclopentyl-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-2-cyclopentyl-3-(4-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-2-cyclopentyl-1-keto-3-(4-nitrophenyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C21H19N2O5- MolecularWeight: 379.38596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(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/C21H20N2O5/c24-20-17-8-4-3-7-16(17)18(21(25)26)19(22(20)14-5-1-2-6-14)13-9-11-15(12-10-13)23(27)28/h3-4,7-12,14,18-19H,1-2,5-6H2,(H,25,26)/p-1/t18-,19-/m1/s1