1-tert-butyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-nitro-4-oxidanylidene-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholino-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-tert-butyl-6-nitro-4-oxo-7-thiomorpholin-4-yl-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-tert-butyl-4-keto-6-nitro-7-thiomorpholino-1,8-naphthyridine-3-carboxylic acid Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-17(2,3)20-9-11(16(23)24)13(22)10-8-12(21(25)26)15(18-14(10)20)19-4-6-27-7-5-19/h8-9H,4-7H2,1-3H3,(H,23,24)