6-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-carbamoyl]-2-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-carbamoyl]-2-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[[2-(dimethylamino)-2-oxo-ethyl]-methyl-carbamoyl]-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]-oxomethyl]-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid Traditional Name: 6-[[2-(dimethylamino)-2-keto-ethyl]-methyl-carbamoyl]-2-methyl-nicotinic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(=O)N(C)CC(=O)N(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)N(C)CC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C13H17N3O4/c1-8-9(13(19)20)5-6-10(14-8)12(18)16(4)7-11(17)15(2)3/h5-6H,7H2,1-4H3,(H,19,20)