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

Systemtic Name: N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C20H18ClN5O6 MolecularWeight: 459.83982

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18ClN5O6/c1-3-18(24-12(2)8-19(23-24)26(30)31)20(27)22-14-9-15(25(28)29)11-17(10-14)32-16-6-4-13(21)5-7-16/h4-11,18H,3H2,1-2H3,(H,22,27)