(5-methyl-2-propan-2-yl-cyclohexyl) 2-(5-nitroquinolin-8-yl)oxyethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(5-nitroquinolin-8-yl)oxyethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(5-nitro-8-quinolyl)oxy]acetate CAS Name: 2-[(5-nitro-8-quinolinyl)oxy]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-nitroquinolin-8-yl)oxyacetate Traditional Name: 2-[(5-nitro-8-quinolyl)oxy]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)COC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(C)C

InChI

InChI=1S/C21H26N2O5/c1-13(2)15-7-6-14(3)11-19(15)28-20(24)12-27-18-9-8-17(23(25)26)16-5-4-10-22-21(16)18/h4-5,8-10,13-15,19H,6-7,11-12H2,1-3H3