2-[3-methyl-5-(2-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[3-methyl-5-(2-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[3-methyl-5-(2-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetonitrile CAS Name: 2-[3-methyl-5-(2-nitrophenyl)-1-phenyl-4-pyrazolyl]acetonitrile IUPAC Name: 2-[3-methyl-5-(2-nitrophenyl)-1-phenylpyrazol-4-yl]acetonitrile Traditional Name: 2-[3-methyl-5-(2-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetonitrile Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CC#N)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CC#N)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O2/c1-13-15(11-12-19)18(16-9-5-6-10-17(16)22(23)24)21(20-13)14-7-3-2-4-8-14/h2-10H,11H2,1H3