4-(5-methyl-4-nitro-pyrazol-1-yl)-2-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 4-(5-methyl-4-nitro-pyrazol-1-yl)-2-phenylmethoxy-benzenecarbonitrile Openeye Name: 2-benzyloxy-4-(5-methyl-4-nitro-pyrazol-1-yl)benzonitrile CAS Name: 4-(5-methyl-4-nitro-1-pyrazolyl)-2-phenylmethoxybenzonitrile IUPAC Name: 4-(5-methyl-4-nitropyrazol-1-yl)-2-phenylmethoxybenzonitrile Traditional Name: 2-benzoxy-4-(5-methyl-4-nitro-pyrazol-1-yl)benzonitrile Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=C(C=C2)C#N)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC(=C(C=C2)C#N)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3/c1-13-17(22(23)24)11-20-21(13)16-8-7-15(10-19)18(9-16)25-12-14-5-3-2-4-6-14/h2-9,11H,12H2,1H3