N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O3/c1-10-13(11(2)21(20-10)12-6-4-3-5-7-12)8-17-16(23)15-14(22(24)25)9-18-19-15/h3-7,9H,8H2,1-2H3,(H,17,23)(H,18,19)