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

Systemtic Name: 2-(4-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide CAS Name: 2-(4-nitro-1-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide IUPAC Name: 2-(4-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide Traditional Name: 2-(4-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butyramide Formula: C20H16F3N5O6 MolecularWeight: 479.36615

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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=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N5O6/c1-2-18(26-11-15(10-24-26)28(32)33)19(29)25-13-7-14(27(30)31)9-17(8-13)34-16-5-3-4-12(6-16)20(21,22)23/h3-11,18H,2H2,1H3,(H,25,29)