4-chloranyl-2-methyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 4-chloranyl-2-methyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylic acid Openeye Name: 4-chloro-2-methyl-6-(4-methylpiperazin-1-yl)-5-nitro-pyridine-3-carboxylic acid CAS Name: 4-chloro-2-methyl-6-(4-methyl-1-piperazinyl)-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 4-chloro-2-methyl-6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid Traditional Name: 4-chloro-2-methyl-6-(4-methylpiperazino)-5-nitro-nicotinic acid Formula: C12H15ClN4O4 MolecularWeight: 314.7249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C(=O)O)Cl)[N+](=O)[O-])N2CCN(CC2)C

Isomeric SMILES

CC1=NC(=C(C(=C1C(=O)O)Cl)[N+](=O)[O-])N2CCN(CC2)C

InChI

InChI=1S/C12H15ClN4O4/c1-7-8(12(18)19)9(13)10(17(20)21)11(14-7)16-5-3-15(2)4-6-16/h3-6H2,1-2H3,(H,18,19)