3,5-dimethyl-4-nitro-1-[(E)-3-phenylprop-2-enyl]pyrazole

Systemtic Name: 3,5-dimethyl-4-nitro-1-[(E)-3-phenylprop-2-enyl]pyrazole Openeye Name: 1-[(E)-cinnamyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 3,5-dimethyl-4-nitro-1-[(E)-3-phenylprop-2-enyl]pyrazole IUPAC Name: 3,5-dimethyl-4-nitro-1-[(E)-3-phenylprop-2-enyl]pyrazole Traditional Name: 1-[(E)-cinnamyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C14H15N3O2 MolecularWeight: 257.2878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC=CC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C/C=C/C2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O2/c1-11-14(17(18)19)12(2)16(15-11)10-6-9-13-7-4-3-5-8-13/h3-9H,10H2,1-2H3/b9-6+