1-tert-butyl-7-(2,6-dimethylmorpholin-4-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(2,6-dimethylmorpholin-4-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(2,6-dimethylmorpholin-4-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(2,6-dimethyl-4-morpholinyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(2,6-dimethylmorpholin-4-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(2,6-dimethylmorpholino)-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6/c1-11-8-21(9-12(2)29-11)16-7-15-13(6-17(16)23(27)28)18(24)14(19(25)26)10-22(15)20(3,4)5/h6-7,10-12H,8-9H2,1-5H3,(H,25,26)