2-[[3-(dimethylcarbamoyl)-4-nitro-phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[3-(dimethylcarbamoyl)-4-nitro-phenyl]methyl]-3-methoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[[3-(dimethylcarbamoyl)-4-nitro-phenyl]methyl]-3-methoxy-3-oxo-propanoic acid CAS Name: 2-[[3-[dimethylamino(oxo)methyl]-4-nitrophenyl]methyl]-3-methoxy-3-oxopropanoic acid IUPAC Name: 2-[[3-(dimethylcarbamoyl)-4-nitrophenyl]methyl]-3-methoxy-3-oxopropanoic acid Traditional Name: 2-[3-(dimethylcarbamoyl)-4-nitro-benzyl]-3-keto-3-methoxy-propionic acid Formula: C14H16N2O7 MolecularWeight: 324.28604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7/c1-15(2)12(17)9-6-8(4-5-11(9)16(21)22)7-10(13(18)19)14(20)23-3/h4-6,10H,7H2,1-3H3,(H,18,19)