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

Systemtic Name: 2-[3-(dimethylcarbamoyl)-4-nitro-phenyl]ethanoic acid Openeye Name: 2-[3-(dimethylcarbamoyl)-4-nitro-phenyl]acetic acid CAS Name: 2-[3-[dimethylamino(oxo)methyl]-4-nitrophenyl]acetic acid IUPAC Name: 2-[3-(dimethylcarbamoyl)-4-nitrophenyl]acetic acid Traditional Name: 2-[3-(dimethylcarbamoyl)-4-nitro-phenyl]acetic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-12(2)11(16)8-5-7(6-10(14)15)3-4-9(8)13(17)18/h3-5H,6H2,1-2H3,(H,14,15)