dimethyl 5-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-methyl-2-nitrophenoxy)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-methyl-2-nitrophenoxy)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O8/c1-11-5-6-17(16(7-11)22(26)27)30-12(2)18(23)21-15-9-13(19(24)28-3)8-14(10-15)20(25)29-4/h5-10,12H,1-4H3,(H,21,23)