(2R)-2-[(1S)-2-methoxycarbonyl-5-nitro-1H-isoquinolin-1-yl]decanoic acid

Systemtic Name: (2R)-2-[(1S)-2-methoxycarbonyl-5-nitro-1H-isoquinolin-1-yl]decanoic acid Openeye Name: (2R)-2-[(1S)-2-methoxycarbonyl-5-nitro-1H-isoquinolin-1-yl]decanoic acid CAS Name: (2R)-2-[(1S)-2-methoxycarbonyl-5-nitro-1H-isoquinolin-1-yl]decanoic acid IUPAC Name: (2R)-2-[(1S)-2-methoxycarbonyl-5-nitro-1H-isoquinolin-1-yl]decanoic acid Traditional Name: (2R)-2-[(1S)-2-carbomethoxy-5-nitro-1H-isoquinolin-1-yl]capric acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1C2=C(C=CN1C(=O)OC)C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCC[C@H]([C@H]1C2=C(C=CN1C(=O)OC)C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H28N2O6/c1-3-4-5-6-7-8-10-17(20(24)25)19-16-11-9-12-18(23(27)28)15(16)13-14-22(19)21(26)29-2/h9,11-14,17,19H,3-8,10H2,1-2H3,(H,24,25)/t17-,19-/m1/s1