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

Systemtic Name: 1-cyclopropyl-7-[3-(diethylcarbamoyl)piperidin-1-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[3-(diethylcarbamoyl)-1-piperidyl]-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-[diethylamino(oxo)methyl]-1-piperidinyl]-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-(diethylcarbamoyl)piperidin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[3-(diethylcarbamoyl)piperidino]-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C23H28N4O6 MolecularWeight: 456.49162

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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)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6/c1-3-24(4-2)22(29)14-6-5-9-25(12-14)19-11-18-16(10-20(19)27(32)33)21(28)17(23(30)31)13-26(18)15-7-8-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,30,31)