N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC(=CC(=C2)C)C)[N+](=O)[O-])N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC(=CC(=C2)C)C)[N+](=O)[O-])N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O6/c1-5-20(25-15(4)9-21(24-25)27(31)32)22(28)23-16-10-17(26(29)30)12-19(11-16)33-18-7-13(2)6-14(3)8-18/h6-12,20H,5H2,1-4H3,(H,23,28)