dimethyl 5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-methyl-2-(4-nitrophenyl)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-12(2)18(13-5-7-17(8-6-13)23(27)28)19(24)22-16-10-14(20(25)29-3)9-15(11-16)21(26)30-4/h5-12,18H,1-4H3,(H,22,24)