methyl 3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H10F2N2O7 MolecularWeight: 380.256606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10F2N2O7/c1-25-15(22)9-4-8(5-11(6-9)20(23)24)14(21)19-10-2-3-12-13(7-10)27-16(17,18)26-12/h2-7H,1H3,(H,19,21)