2,5-dimethyl-4-nitro-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-nitro-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-[4-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-4-nitro-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=CC=N3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=CC=N3)C

InChI

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