3-(2,3-dimethyl-6-nitro-phenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(2,3-dimethyl-6-nitro-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(2,3-dimethyl-6-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(2,3-dimethyl-6-nitrophenyl)-2-oxopropanoic acid IUPAC Name: 3-(2,3-dimethyl-6-nitrophenyl)-2-oxopropanoic acid Traditional Name: 3-(2,3-dimethyl-6-nitro-phenyl)-2-keto-propionic acid Formula: C11H11NO5 MolecularWeight: 237.20874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-6-3-4-9(12(16)17)8(7(6)2)5-10(13)11(14)15/h3-4H,5H2,1-2H3,(H,14,15)