7-(cyclopropylamino)-6-nitro-4-oxidanylidene-1-thiomorpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 7-(cyclopropylamino)-6-nitro-4-oxidanylidene-1-thiomorpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 7-(cyclopropylamino)-6-nitro-4-oxo-1-thiomorpholino-quinoline-3-carboxylic acid CAS Name: 7-(cyclopropylamino)-6-nitro-4-oxo-1-thiomorpholin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 7-(cyclopropylamino)-6-nitro-4-oxo-1-thiomorpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 7-(cyclopropylamino)-4-keto-6-nitro-1-thiomorpholino-quinoline-3-carboxylic acid Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)N4CCSCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)N4CCSCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c22-16-11-7-15(21(25)26)13(18-10-1-2-10)8-14(11)20(9-12(16)17(23)24)19-3-5-27-6-4-19/h7-10,18H,1-6H2,(H,23,24)