1-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-5-(hexylamino)-2-oxidanyl-quinolin-4-one; 1-methyl-5-nitro-3-octoxy-2-oxidanyl-quinolin-4-one

Systemtic Name: 1-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-5-(hexylamino)-2-oxidanyl-quinolin-4-one; 1-methyl-5-nitro-3-octoxy-2-oxidanyl-quinolin-4-one Openeye Name: 1-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-5-(hexylamino)-2-hydroxy-quinolin-4-one; 2-hydroxy-1-methyl-5-nitro-3-octoxy-quinolin-4-one CAS Name: 1-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-5-(hexylamino)-2-hydroxy-4-quinolinone; 2-hydroxy-1-methyl-5-nitro-3-octoxy-4-quinolinone IUPAC Name: 1-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-5-(hexylamino)-2-hydroxyquinolin-4-one; 2-hydroxy-1-methyl-5-nitro-3-octoxyquinolin-4-one Traditional Name: 1-(3,5-dimethylbenzyl)oxy-3-ethoxy-5-(hexylamino)-2-hydroxy-4-quinolone; 2-hydroxy-1-methyl-5-nitro-3-octoxy-4-quinolone Formula: C44H58N4O9 MolecularWeight: 786.95272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(N(C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])C)O.CCCCCCNC1=CC=CC2=C1C(=O)C(=C(N2OCC3=CC(=CC(=C3)C)C)O)OCC

Isomeric SMILES

CCCCCCCCOC1=C(N(C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])C)O.CCCCCCNC1=CC=CC2=C1C(=O)C(=C(N2OCC3=CC(=CC(=C3)C)C)O)OCC

InChI

InChI=1S/C26H34N2O4.C18H24N2O5/c1-5-7-8-9-13-27-21-11-10-12-22-23(21)24(29)25(31-6-2)26(30)28(22)32-17-20-15-18(3)14-19(4)16-20;1-3-4-5-6-7-8-12-25-17-16(21)15-13(19(2)18(17)22)10-9-11-14(15)20(23)24/h10-12,14-16,27,30H,5-9,13,17H2,1-4H3;9-11,22H,3-8,12H2,1-2H3