1-methyl-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-methyl-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-methyl-6-nitro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-methyl-6-nitro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-methyl-6-nitro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 4-keto-1-methyl-6-nitro-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H19N5O5/c1-22-12-14(20(27)28)19(26)13-10-17(25(29)30)16(11-15(13)22)23-6-8-24(9-7-23)18-4-2-3-5-21-18/h2-5,10-12H,6-9H2,1H3,(H,27,28)