[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [1-(difluoromethyl)-2-imidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [1-(difluoromethyl)imidazol-2-yl]methyl ester Formula: C12H10F2N4O4 MolecularWeight: 312.229006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2=NC=CN2C(F)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=NC=CN2C(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C12H10F2N4O4/c13-12(14)17-4-3-16-10(17)6-22-11(19)7-1-2-8(15)9(5-7)18(20)21/h1-5,12H,6,15H2