1-tert-butyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-4-keto-6-nitro-7-thiomorpholino-quinoline-3-carboxylic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCSCC3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCSCC3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H21N3O5S/c1-18(2,3)20-10-12(17(23)24)16(22)11-8-15(21(25)26)14(9-13(11)20)19-4-6-27-7-5-19/h8-10H,4-7H2,1-3H3,(H,23,24)