1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3/c14-6-1-7-17-8-11(13(15)19)12(16-17)9-2-4-10(5-3-9)18(20)21/h2-5,8H,1,7H2,(H2,15,19)