2-(1-chloroethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(1-chloroethyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(1-chloroethyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(1-chloroethyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(1-chloroethyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(1-chloroethyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C6H7ClN2O3 MolecularWeight: 190.58438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1C(=O)C=C(N1)C(=O)O)Cl

Isomeric SMILES

CC(N1C(=O)C=C(N1)C(=O)O)Cl

InChI

InChI=1S/C6H7ClN2O3/c1-3(7)9-5(10)2-4(8-9)6(11)12/h2-3,8H,1H3,(H,11,12)