methyl 3-methylsulfonyl-4-(2-nitropyridin-4-yl)oxy-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-(2-nitropyridin-4-yl)oxy-benzoate Openeye Name: methyl 3-methylsulfonyl-4-[(2-nitro-4-pyridyl)oxy]benzoate CAS Name: 3-methylsulfonyl-4-[(2-nitro-4-pyridinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-(2-nitropyridin-4-yl)oxybenzoate Traditional Name: 3-mesyl-4-[(2-nitro-4-pyridyl)oxy]benzoic acid methyl ester Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC2=CC(=NC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OC2=CC(=NC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C14H12N2O7S/c1-22-14(17)9-3-4-11(12(7-9)24(2,20)21)23-10-5-6-15-13(8-10)16(18)19/h3-8H,1-2H3