ethyl 3-(6-methoxy-3-nitro-pyridin-2-yl)-3-(4-methylphenyl)sulfonyl-propanoate

Systemtic Name: ethyl 3-(6-methoxy-3-nitro-pyridin-2-yl)-3-(4-methylphenyl)sulfonyl-propanoate Openeye Name: ethyl 3-(6-methoxy-3-nitro-2-pyridyl)-3-(p-tolylsulfonyl)propanoate CAS Name: 3-(6-methoxy-3-nitro-2-pyridinyl)-3-(4-methylphenyl)sulfonylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(6-methoxy-3-nitropyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-(6-methoxy-3-nitro-2-pyridyl)-3-tosyl-propionic acid ethyl ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C(C=CC(=N1)OC)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CC(C1=C(C=CC(=N1)OC)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H20N2O7S/c1-4-27-17(21)11-15(28(24,25)13-7-5-12(2)6-8-13)18-14(20(22)23)9-10-16(19-18)26-3/h5-10,15H,4,11H2,1-3H3