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

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxy-phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxy-phenyl]propionamide Formula: C14H13BrF2N4O5 MolecularWeight: 435.177626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)OC(F)F

InChI

InChI=1S/C14H13BrF2N4O5/c1-25-11-6-8(2-3-10(11)26-14(16)17)18-12(22)4-5-20-7-9(15)13(19-20)21(23)24/h2-3,6-7,14H,4-5H2,1H3,(H,18,22)