N-[2,5-bis(fluoranyl)phenyl]-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(2,5-difluorophenyl)-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(2,5-difluorophenyl)-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(2,5-difluorophenyl)-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(2,5-difluorophenyl)-4-(4-nitropyrazol-1-yl)butyramide Formula: C13H12F2N4O3 MolecularWeight: 310.256186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1F)NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-])F

InChI

InChI=1S/C13H12F2N4O3/c14-9-3-4-11(15)12(6-9)17-13(20)2-1-5-18-8-10(7-16-18)19(21)22/h3-4,6-8H,1-2,5H2,(H,17,20)