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

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-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)C)[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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