3-(4-methyl-2-nitro-phenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(4-methyl-2-nitro-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(4-methyl-2-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(4-methyl-2-nitrophenyl)-2-oxopropanoic acid IUPAC Name: 3-(4-methyl-2-nitrophenyl)-2-oxopropanoic acid Traditional Name: 2-keto-3-(4-methyl-2-nitro-phenyl)propionic acid Formula: C10H9NO5 MolecularWeight: 223.18216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO5/c1-6-2-3-7(5-9(12)10(13)14)8(4-6)11(15)16/h2-4H,5H2,1H3,(H,13,14)