[2-(2-cyanoethyl)-3,4-dihydropyrazol-5-yl]-[(3-nitrophenyl)methylidene]azanium

Systemtic Name: [2-(2-cyanoethyl)-3,4-dihydropyrazol-5-yl]-[(3-nitrophenyl)methylidene]azanium Openeye Name: [2-(2-cyanoethyl)-3,4-dihydropyrazol-5-yl]-[(3-nitrophenyl)methylene]ammonium CAS Name: [2-(2-cyanoethyl)-3,4-dihydropyrazol-5-yl]-[(3-nitrophenyl)methylidene]ammonium IUPAC Name: [2-(2-cyanoethyl)-3,4-dihydropyrazol-5-yl]-[(3-nitrophenyl)methylidene]azanium Traditional Name: [1-(2-cyanoethyl)-2-pyrazolin-3-yl]-(3-nitrobenzylidene)ammonium Formula: C13H14N5O2+ MolecularWeight: 272.28256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1[NH+]=CC2=CC(=CC=C2)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1CN(N=C1[NH+]=CC2=CC(=CC=C2)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C13H13N5O2/c14-6-2-7-17-8-5-13(16-17)15-10-11-3-1-4-12(9-11)18(19)20/h1,3-4,9-10H,2,5,7-8H2/p+1