1-[3-[2-(4-chloranylpyrazol-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[3-[2-(4-chloranylpyrazol-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[3-[2-(4-chloropyrazol-1-yl)ethylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[3-[2-(4-chloro-1-pyrazolyl)ethylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-[2-(4-chloropyrazol-1-yl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[3-[2-(4-chloropyrazol-1-yl)ethylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C12H14ClN5O3 MolecularWeight: 311.72426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1C(=O)O)CCC(=O)NCCN2C=C(C=N2)Cl

Isomeric SMILES

C1=CN(N=C1C(=O)O)CCC(=O)NCCN2C=C(C=N2)Cl

InChI

InChI=1S/C12H14ClN5O3/c13-9-7-15-18(8-9)6-3-14-11(19)2-5-17-4-1-10(16-17)12(20)21/h1,4,7-8H,2-3,5-6H2,(H,14,19)(H,20,21)