1-tert-butyl-7-(2,6-dimethylmorpholin-4-yl)-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(2,6-dimethylmorpholin-4-yl)-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(2,6-dimethylmorpholin-4-yl)-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(2,6-dimethyl-4-morpholinyl)-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(2,6-dimethylmorpholin-4-yl)-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(2,6-dimethylmorpholino)-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C=C3C(=C2C)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(=C2C)N(C=C(C3=O)C(=O)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6/c1-11-8-22(9-12(2)30-11)18-13(3)17-14(7-16(18)24(28)29)19(25)15(20(26)27)10-23(17)21(4,5)6/h7,10-12H,8-9H2,1-6H3,(H,26,27)