4-chloranyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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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(=C3Cl)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C(=C3Cl)C)C)C

InChI

InChI=1S/C20H19ClN4O4/c1-11-5-12(2)7-16(6-11)29-17-9-14(8-15(10-17)25(27)28)22-20(26)19-18(21)13(3)24(4)23-19/h5-10H,1-4H3,(H,22,26)