2-[4-(2-methyl-2-nitroso-3-oxidanylidene-propyl)phenyl]propanoic acid

Systemtic Name: 2-[4-(2-methyl-2-nitroso-3-oxidanylidene-propyl)phenyl]propanoic acid Openeye Name: 2-[4-(2-methyl-2-nitroso-3-oxo-propyl)phenyl]propanoic acid CAS Name: 2-[4-(2-methyl-2-nitroso-3-oxopropyl)phenyl]propanoic acid IUPAC Name: 2-[4-(2-methyl-2-nitroso-3-oxopropyl)phenyl]propanoic acid Traditional Name: 2-[4-(3-keto-2-methyl-2-nitroso-propyl)phenyl]propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC(C)(C=O)N=O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)CC(C)(C=O)N=O)C(=O)O

InChI

InChI=1S/C13H15NO4/c1-9(12(16)17)11-5-3-10(4-6-11)7-13(2,8-15)14-18/h3-6,8-9H,7H2,1-2H3,(H,16,17)