4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(4-fluoranylphenoxy)-5-nitro-phenyl]butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(4-fluoranylphenoxy)-5-nitro-phenyl]butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitro-phenyl]butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(4-fluorophenoxy)-5-nitro-phenyl]butyramide Formula: C21H20FN5O6 MolecularWeight: 457.411803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN5O6/c1-13-21(27(31)32)14(2)25(24-13)9-3-4-20(28)23-16-10-17(26(29)30)12-19(11-16)33-18-7-5-15(22)6-8-18/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,28)