2-[3-(dimethylcarbamoyl)-4-nitro-phenyl]propanedioic acid

Systemtic Name: 2-[3-(dimethylcarbamoyl)-4-nitro-phenyl]propanedioic acid Openeye Name: 2-[3-(dimethylcarbamoyl)-4-nitro-phenyl]propanedioic acid CAS Name: 2-[3-[dimethylamino(oxo)methyl]-4-nitrophenyl]propanedioic acid IUPAC Name: 2-[3-(dimethylcarbamoyl)-4-nitrophenyl]propanedioic acid Traditional Name: 2-[3-(dimethylcarbamoyl)-4-nitro-phenyl]malonic acid Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=CC(=C1)C(C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=C(C=CC(=C1)C(C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O7/c1-13(2)10(15)7-5-6(3-4-8(7)14(20)21)9(11(16)17)12(18)19/h3-5,9H,1-2H3,(H,16,17)(H,18,19)