[(5-methyl-2-nitro-phenyl)methylamino] 2-(4-methoxyphenyl)sulfonylpropanoate

Systemtic Name: [(5-methyl-2-nitro-phenyl)methylamino] 2-(4-methoxyphenyl)sulfonylpropanoate Openeye Name: [(5-methyl-2-nitro-phenyl)methylamino] 2-(4-methoxyphenyl)sulfonylpropanoate CAS Name: 2-(4-methoxyphenyl)sulfonylpropanoic acid [(5-methyl-2-nitrophenyl)methylamino] ester IUPAC Name: [(5-methyl-2-nitrophenyl)methylamino] 2-(4-methoxyphenyl)sulfonylpropanoate Traditional Name: 2-(4-methoxyphenyl)sulfonylpropionic acid [(5-methyl-2-nitro-benzyl)amino] ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])CNOC(=O)C(C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])CNOC(=O)C(C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H20N2O7S/c1-12-4-9-17(20(22)23)14(10-12)11-19-27-18(21)13(2)28(24,25)16-7-5-15(26-3)6-8-16/h4-10,13,19H,11H2,1-3H3