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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3/c14-5-2-6-17-8-11(13(15)19)12(16-17)9-3-1-4-10(7-9)18(20)21/h1,3-4,7-8H,2,6H2,(H2,15,19)