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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)O)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)O)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4/c14-6-1-7-16-8-11(13(18)19)12(15-16)9-2-4-10(5-3-9)17(20)21/h2-5,8H,1,7H2,(H,18,19)