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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butyramide Formula: C21H18F3N5O6 MolecularWeight: 493.39273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N5O6/c1-3-18(27-12(2)7-19(26-27)29(33)34)20(30)25-14-9-15(28(31)32)11-17(10-14)35-16-6-4-5-13(8-16)21(22,23)24/h4-11,18H,3H2,1-2H3,(H,25,30)