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

Systemtic Name: 1-[2-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[3-(4-chloro-3-methyl-pyrazol-1-yl)propylamino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[3-(4-chloro-3-methyl-1-pyrazolyl)propylamino]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[3-(4-chloro-3-methylpyrazol-1-yl)propylamino]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[3-(4-chloro-3-methyl-pyrazol-1-yl)propylamino]-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C13H16ClN5O3 MolecularWeight: 325.75084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCNC(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

CC1=NN(C=C1Cl)CCCNC(=O)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H16ClN5O3/c1-9-11(14)7-18(17-9)4-2-3-15-12(20)8-19-6-10(5-16-19)13(21)22/h5-7H,2-4,8H2,1H3,(H,15,20)(H,21,22)