5-[(4-chloranyl-2-ethyl-pyrazol-3-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(4-chloranyl-2-ethyl-pyrazol-3-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(4-chloro-2-ethyl-pyrazol-3-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(4-chloro-2-ethyl-3-pyrazolyl)methylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-chloro-2-ethylpyrazol-3-yl)methylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(4-chloro-2-ethyl-pyrazol-3-yl)methylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H14ClN5O3 MolecularWeight: 311.72426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Cl)CNC(=O)C2=C(C=NN2C)C(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)Cl)CNC(=O)C2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C12H14ClN5O3/c1-3-18-9(8(13)5-16-18)6-14-11(19)10-7(12(20)21)4-15-17(10)2/h4-5H,3,6H2,1-2H3,(H,14,19)(H,20,21)