2-chloranyl-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)-4-nitro-benzamide Formula: C12H12ClN4O3+ MolecularWeight: 295.70168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CN1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC[N+]1=C(C=CN1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H11ClN4O3/c1-2-16-11(5-6-14-16)15-12(18)9-4-3-8(17(19)20)7-10(9)13/h3-7H,2H2,1H3,(H,14,15,18)/p+1