N-[3-(3-methylphenoxy)-5-nitro-phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-(3-methylphenoxy)-5-nitro-phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-[3-(3-methylphenoxy)-5-nitro-phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide CAS Name: N-[3-(3-methylphenoxy)-5-nitrophenyl]-1-(1-pyrazolylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-(3-methylphenoxy)-5-nitrophenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-[3-(3-methylphenoxy)-5-nitro-phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H18N6O4/c1-15-4-2-5-18(10-15)31-19-12-16(11-17(13-19)27(29)30)23-21(28)20-6-9-26(24-20)14-25-8-3-7-22-25/h2-13H,14H2,1H3,(H,23,28)