N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C21H20ClN5O6 MolecularWeight: 473.8664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O6/c1-4-19(25-13(3)8-20(24-25)27(31)32)21(28)23-14-9-15(26(29)30)11-17(10-14)33-16-5-6-18(22)12(2)7-16/h5-11,19H,4H2,1-3H3,(H,23,28)