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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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