7-butylsulfanyl-1-(dimethylamino)-2-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-butylsulfanyl-1-(dimethylamino)-2-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-butylsulfanyl-1-(dimethylamino)-2-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(butylthio)-1-(dimethylamino)-2-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-butylsulfanyl-1-(dimethylamino)-2-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(butylthio)-1-(dimethylamino)-4-keto-2-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C2C(=C1)N(C(=C(C2=O)C(=O)O)C)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(C=C2C(=C1)N(C(=C(C2=O)C(=O)O)C)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-5-6-7-26-14-9-12-11(8-13(14)20(24)25)16(21)15(17(22)23)10(2)19(12)18(3)4/h8-9H,5-7H2,1-4H3,(H,22,23)