N-[2-[bis(fluoranyl)methoxy]phenyl]-3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[2-[bis(fluoranyl)methoxy]phenyl]-3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[2-(difluoromethoxy)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[2-(difluoromethoxy)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[2-(difluoromethoxy)phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[2-(difluoromethoxy)phenyl]propionamide Formula: C13H11BrF2N4O4 MolecularWeight: 405.151646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)OC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)OC(F)F

InChI

InChI=1S/C13H11BrF2N4O4/c14-8-7-19(18-12(8)20(22)23)6-5-11(21)17-9-3-1-2-4-10(9)24-13(15)16/h1-4,7,13H,5-6H2,(H,17,21)