methyl 4-[(2,6-dimethoxypyridin-3-yl)-methylsulfonyl-carbamoyl]-2-nitro-benzoate

Systemtic Name: methyl 4-[(2,6-dimethoxypyridin-3-yl)-methylsulfonyl-carbamoyl]-2-nitro-benzoate Openeye Name: methyl 4-[(2,6-dimethoxy-3-pyridyl)-methylsulfonyl-carbamoyl]-2-nitro-benzoate CAS Name: 4-[[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-oxomethyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2,6-dimethoxypyridin-3-yl)-methylsulfonylcarbamoyl]-2-nitrobenzoate Traditional Name: 4-[(2,6-dimethoxy-3-pyridyl)-mesyl-carbamoyl]-2-nitro-benzoic acid methyl ester Formula: C17H17N3O9S MolecularWeight: 439.39658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)N(C(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=C(C=C1)N(C(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-])S(=O)(=O)C)OC

InChI

InChI=1S/C17H17N3O9S/c1-27-14-8-7-12(15(18-14)28-2)19(30(4,25)26)16(21)10-5-6-11(17(22)29-3)13(9-10)20(23)24/h5-9H,1-4H3