5-fluoranyl-3-[(7-nitro-4-piperazin-1-yl-quinolin-3-yl)carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[(7-nitro-4-piperazin-1-yl-quinolin-3-yl)carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[(7-nitro-4-piperazin-1-yl-quinoline-3-carbonyl)amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[[7-nitro-4-(1-piperazinyl)-3-quinolinyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[(7-nitro-4-piperazin-1-ylquinoline-3-carbonyl)amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[(7-nitro-4-piperazino-quinoline-3-carbonyl)amino]valeric acid Formula: C19H20FN5O6 MolecularWeight: 433.390403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C=CC(=CC3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C3C=CC(=CC3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN5O6/c20-9-16(26)15(8-17(27)28)23-19(29)13-10-22-14-7-11(25(30)31)1-2-12(14)18(13)24-5-3-21-4-6-24/h1-2,7,10,15,21H,3-6,8-9H2,(H,23,29)(H,27,28)