6-chloranyl-4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-pyridine-3-carboxylic acid Openeye Name: 6-chloro-4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-pyridine-3-carboxylic acid CAS Name: 6-chloro-4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 6-chloro-4-[3-(dimethylamino)propylamino]-2-methyl-5-nitropyridine-3-carboxylic acid Traditional Name: 6-chloro-4-[3-(dimethylamino)propylamino]-2-methyl-5-nitro-nicotinic acid Formula: C12H17ClN4O4 MolecularWeight: 316.74078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN4O4/c1-7-8(12(18)19)9(14-5-4-6-16(2)3)10(17(20)21)11(13)15-7/h4-6H2,1-3H3,(H,14,15)(H,18,19)