N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-(1-pyrazolylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Formula: C21H17ClN6O4 MolecularWeight: 452.85048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN6O4/c1-14-9-17(3-4-19(14)22)32-18-11-15(10-16(12-18)28(30)31)24-21(29)20-5-8-27(25-20)13-26-7-2-6-23-26/h2-12H,13H2,1H3,(H,24,29)