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

Systemtic Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethoxy]benzonitrile CAS Name: 4-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethoxy]benzonitrile IUPAC Name: 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethoxy]benzonitrile Traditional Name: 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethoxy]benzonitrile Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCOC2=CC=C(C=C2)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCOC2=CC=C(C=C2)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3/c1-10-14(18(19)20)11(2)17(16-10)7-8-21-13-5-3-12(9-15)4-6-13/h3-6H,7-8H2,1-2H3