(E)-3-(4-nitrophenyl)-1-pyrazol-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-nitrophenyl)-1-pyrazol-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-pyrazol-1-yl-prop-2-en-1-one CAS Name: (E)-3-(4-nitrophenyl)-1-(1-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-nitrophenyl)-1-pyrazol-1-ylprop-2-en-1-one Traditional Name: (E)-3-(4-nitrophenyl)-1-pyrazol-1-yl-prop-2-en-1-one Formula: C12H9N3O3 MolecularWeight: 243.21816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3/c16-12(14-9-1-8-13-14)7-4-10-2-5-11(6-3-10)15(17)18/h1-9H/b7-4+