7-[3-(diethylcarbamoyl)piperidin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(diethylcarbamoyl)piperidin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(diethylcarbamoyl)-1-piperidyl]-1-(4-fluorophenyl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[diethylamino(oxo)methyl]-1-piperidinyl]-1-(4-fluorophenyl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(diethylcarbamoyl)piperidin-1-yl]-1-(4-fluorophenyl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(diethylcarbamoyl)piperidino]-1-(4-fluorophenyl)-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C26H27FN4O6 MolecularWeight: 510.514183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C26H27FN4O6/c1-3-28(4-2)25(33)16-6-5-11-29(14-16)22-13-21-19(12-23(22)31(36)37)24(32)20(26(34)35)15-30(21)18-9-7-17(27)8-10-18/h7-10,12-13,15-16H,3-6,11,14H2,1-2H3,(H,34,35)