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

Systemtic Name: 3-methyl-5-[(4-nitroimidazol-1-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(4-nitroimidazol-1-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[(4-nitro-1-imidazolyl)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(4-nitroimidazol-1-yl)methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[(4-nitroimidazol-1-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C15H12N6O2 MolecularWeight: 308.29478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C=C(N=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C=C(N=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C15H12N6O2/c1-11-13(7-16)14(8-19-9-15(17-10-19)21(22)23)20(18-11)12-5-3-2-4-6-12/h2-6,9-10H,8H2,1H3