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

Systemtic Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-pentoxy-quinoline Openeye Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-pentoxy-quinoline CAS Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-pentoxyquinoline IUPAC Name: 2-tert-butyl-4-ethyl-6-methoxy-8-nitro-5-pentoxyquinoline Traditional Name: 5-amoxy-2-tert-butyl-4-ethyl-6-methoxy-8-nitro-quinoline Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C2=C1C(=CC(=N2)C(C)(C)C)CC)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C2=C1C(=CC(=N2)C(C)(C)C)CC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H30N2O4/c1-7-9-10-11-27-20-16(26-6)13-15(23(24)25)19-18(20)14(8-2)12-17(22-19)21(3,4)5/h12-13H,7-11H2,1-6H3