phenyl 3,4-bis(azanyl)-6-[bis(fluoranyl)methyl]-2-nitro-benzoate

Systemtic Name: phenyl 3,4-bis(azanyl)-6-[bis(fluoranyl)methyl]-2-nitro-benzoate Openeye Name: phenyl 3,4-diamino-6-(difluoromethyl)-2-nitro-benzoate CAS Name: 3,4-diamino-6-(difluoromethyl)-2-nitrobenzoic acid phenyl ester IUPAC Name: phenyl 3,4-diamino-6-(difluoromethyl)-2-nitrobenzoate Traditional Name: 3,4-diamino-6-(difluoromethyl)-2-nitro-benzoic acid phenyl ester Formula: C14H11F2N3O4 MolecularWeight: 323.251646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2C(F)F)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2C(F)F)N)N)[N+](=O)[O-]

InChI

InChI=1S/C14H11F2N3O4/c15-13(16)8-6-9(17)11(18)12(19(21)22)10(8)14(20)23-7-4-2-1-3-5-7/h1-6,13H,17-18H2