3-[2-(aziridin-1-ylcarbonyl)phenyl]-2,2-dimethyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-(aziridin-1-ylcarbonyl)phenyl]-2,2-dimethyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-(aziridine-1-carbonyl)phenyl]-2,2-dimethyl-3-oxo-propanoic acid CAS Name: 3-[2-[1-aziridinyl(oxo)methyl]phenyl]-2,2-dimethyl-3-oxopropanoic acid IUPAC Name: 3-[2-(aziridine-1-carbonyl)phenyl]-2,2-dimethyl-3-oxopropanoic acid Traditional Name: 3-[2-(ethylenimine-1-carbonyl)phenyl]-3-keto-2,2-dimethyl-propionic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=CC=C1C(=O)N2CC2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)C1=CC=CC=C1C(=O)N2CC2)C(=O)O

InChI

InChI=1S/C14H15NO4/c1-14(2,13(18)19)11(16)9-5-3-4-6-10(9)12(17)15-7-8-15/h3-6H,7-8H2,1-2H3,(H,18,19)