3-methyl-5-[(3-nitrophenoxy)methyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(3-nitrophenoxy)methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(3-nitrophenoxy)methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[(3-nitrophenoxy)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(3-nitrophenoxy)methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[(3-nitrophenoxy)methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

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