1-(4-ethyl-8-nitro-5-octoxy-quinolin-6-yl)ethanone

Systemtic Name: 1-(4-ethyl-8-nitro-5-octoxy-quinolin-6-yl)ethanone Openeye Name: 1-(4-ethyl-8-nitro-5-octoxy-6-quinolyl)ethanone CAS Name: 1-(4-ethyl-8-nitro-5-octoxy-6-quinolinyl)ethanone IUPAC Name: 1-(4-ethyl-8-nitro-5-octoxyquinolin-6-yl)ethanone Traditional Name: 1-(4-ethyl-8-nitro-5-octoxy-6-quinolyl)ethanone Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C21H28N2O4/c1-4-6-7-8-9-10-13-27-21-17(15(3)24)14-18(23(25)26)20-19(21)16(5-2)11-12-22-20/h11-12,14H,4-10,13H2,1-3H3