1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid Formula: C13H10N4O4 MolecularWeight: 286.2429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C(=O)O)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C(=O)O)CCC#N

InChI

InChI=1S/C13H10N4O4/c14-5-2-6-16-8-11(13(18)19)12(15-16)9-3-1-4-10(7-9)17(20)21/h1,3-4,7-8H,2,6H2,(H,18,19)