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

Systemtic Name: 8-methoxy-1-methyl-6-nitro-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-methoxy-1-methyl-6-nitro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 8-methoxy-1-methyl-6-nitro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-methoxy-1-methyl-6-nitro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 4-keto-8-methoxy-1-methyl-6-nitro-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C21H21N5O6 MolecularWeight: 439.42134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6/c1-23-12-14(21(28)29)19(27)13-11-15(26(30)31)18(20(32-2)17(13)23)25-9-7-24(8-10-25)16-5-3-4-6-22-16/h3-6,11-12H,7-10H2,1-2H3,(H,28,29)