7-(4-butanoylpiperazin-1-yl)-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-butanoylpiperazin-1-yl)-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-butanoylpiperazin-1-yl)-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-nitro-4-oxo-7-[4-(1-oxobutyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-butanoylpiperazin-1-yl)-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-butyrylpiperazino)-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6/c1-2-3-19(26)23-8-6-22(7-9-23)17-11-16-14(10-18(17)25(30)31)20(27)15(21(28)29)12-24(16)13-4-5-13/h10-13H,2-9H2,1H3,(H,28,29)