methyl 3-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H9F2N3O5S MolecularWeight: 393.321566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H9F2N3O5S/c1-26-15(23)8-2-7(3-10(4-8)21(24)25)14(22)20-16-19-13-11(18)5-9(17)6-12(13)27-16/h2-6H,1H3,(H,19,20,22)