1-[2-[2-(4-chloranylpyrazol-1-yl)ethylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[2-(4-chloranylpyrazol-1-yl)ethylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[2-(4-chloro-1-pyrazolyl)ethylamino]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C11H12ClN5O3 MolecularWeight: 297.69768

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CC(=O)NCCN2C=C(C=N2)Cl)C(=O)O

Isomeric SMILES

C1=C(C=NN1CC(=O)NCCN2C=C(C=N2)Cl)C(=O)O

InChI

InChI=1S/C11H12ClN5O3/c12-9-4-15-16(6-9)2-1-13-10(18)7-17-5-8(3-14-17)11(19)20/h3-6H,1-2,7H2,(H,13,18)(H,19,20)