4-[(5-chloranylpyridin-2-yl)carbamoyl]-1-methyl-pyrazole-3,5-dicarboxylic acid

Systemtic Name: 4-[(5-chloranylpyridin-2-yl)carbamoyl]-1-methyl-pyrazole-3,5-dicarboxylic acid Openeye Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-1-methyl-pyrazole-3,5-dicarboxylic acid CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-1-methylpyrazole-3,5-dicarboxylic acid IUPAC Name: 4-[(5-chloropyridin-2-yl)carbamoyl]-1-methylpyrazole-3,5-dicarboxylic acid Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-1-methyl-pyrazole-3,5-dicarboxylic acid Formula: C12H9ClN4O5 MolecularWeight: 324.67666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)O)C(=O)NC2=NC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)O)C(=O)NC2=NC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H9ClN4O5/c1-17-9(12(21)22)7(8(16-17)11(19)20)10(18)15-6-3-2-5(13)4-14-6/h2-4H,1H3,(H,19,20)(H,21,22)(H,14,15,18)