2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-octoxy-quinoline

Systemtic Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-octoxy-quinoline Openeye Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-octoxy-quinoline CAS Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-octoxyquinoline IUPAC Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-octoxyquinoline Traditional Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-octoxy-quinoline Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C2=C1C(=CC(=N2)C(C)(C)C)CC)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C2=C1C(=CC(=N2)C(C)(C)C)CC)[N+](=O)[O-])OC

InChI

InChI=1S/C24H36N2O4/c1-7-9-10-11-12-13-14-30-23-19(29-6)16-18(26(27)28)22-21(23)17(8-2)15-20(25-22)24(3,4)5/h15-16H,7-14H2,1-6H3