4-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[[1-(difluoromethyl)-2-imidazolyl]methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methyl-amino]-3-nitro-benzonitrile Formula: C13H11F2N5O2 MolecularWeight: 307.255546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=CN1C(F)F)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC=CN1C(F)F)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H11F2N5O2/c1-18(8-12-17-4-5-19(12)13(14)15)10-3-2-9(7-16)6-11(10)20(21)22/h2-6,13H,8H2,1H3