4-[1-(3,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl)-2-nitro-ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-(3,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl)-2-nitro-ethyl]benzenecarbonitrile Openeye Name: 4-[1-(3,4-dimethyl-5-oxo-1-phenyl-pyrazol-4-yl)-2-nitro-ethyl]benzonitrile CAS Name: 4-[1-(3,4-dimethyl-5-oxo-1-phenyl-4-pyrazolyl)-2-nitroethyl]benzonitrile IUPAC Name: 4-[1-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-2-nitroethyl]benzonitrile Traditional Name: 4-[1-(5-keto-3,4-dimethyl-1-phenyl-2-pyrazolin-4-yl)-2-nitro-ethyl]benzonitrile Formula: C20H18N4O3 MolecularWeight: 362.38192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(C)C(C[N+](=O)[O-])C2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1(C)C(C[N+](=O)[O-])C2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3/c1-14-20(2,19(25)24(22-14)17-6-4-3-5-7-17)18(13-23(26)27)16-10-8-15(12-21)9-11-16/h3-11,18H,13H2,1-2H3