3-[4-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(4-nitrophenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-keto-3-(4-nitrophenyl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H16N4O3 MolecularWeight: 372.37674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C21H16N4O3/c22-13-4-14-24-15-18(21(23-24)17-5-2-1-3-6-17)9-12-20(26)16-7-10-19(11-8-16)25(27)28/h1-3,5-12,15H,4,14H2/b12-9+