sodium 5-aminocarbonyl-6-[(2,4-dimethylphenyl)amino]-2-methyl-pyridine-3-carboxylate

Systemtic Name: sodium 5-aminocarbonyl-6-[(2,4-dimethylphenyl)amino]-2-methyl-pyridine-3-carboxylate Openeye Name: sodium 5-carbamoyl-6-(2,4-dimethylanilino)-2-methyl-pyridine-3-carboxylate CAS Name: sodium 5-carbamoyl-6-(2,4-dimethylanilino)-2-methyl-3-pyridinecarboxylate IUPAC Name: sodium 5-carbamoyl-6-(2,4-dimethylanilino)-2-methylpyridine-3-carboxylate Traditional Name: sodium 5-carbamoyl-6-(2,4-dimethylanilino)-2-methyl-nicotinate Formula: C16H16N3NaO3 MolecularWeight: 321.30631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C(=N2)C)C(=O)[O-])C(=O)N)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C(=N2)C)C(=O)[O-])C(=O)N)C.[Na+]

InChI

InChI=1S/C16H17N3O3.Na/c1-8-4-5-13(9(2)6-8)19-15-12(14(17)20)7-11(16(21)22)10(3)18-15;/h4-7H,1-3H3,(H2,17,20)(H,18,19)(H,21,22);/q;+1/p-1