3-[[3,5-bis[bis(fluoranyl)methyl]-4-bromanyl-pyrazol-1-yl]methyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[3,5-bis[bis(fluoranyl)methyl]-4-bromanyl-pyrazol-1-yl]methyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-methoxy-benzaldehyde CAS Name: 3-[[4-bromo-3,5-bis(difluoromethyl)-1-pyrazolyl]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde Traditional Name: 3-[[4-bromo-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-methoxy-benzaldehyde Formula: C14H11BrF4N2O2 MolecularWeight: 395.146953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CN2C(=C(C(=N2)C(F)F)Br)C(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CN2C(=C(C(=N2)C(F)F)Br)C(F)F

InChI

InChI=1S/C14H11BrF4N2O2/c1-23-9-3-2-7(6-22)4-8(9)5-21-12(14(18)19)10(15)11(20-21)13(16)17/h2-4,6,13-14H,5H2,1H3