2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-butanoic acid CAS Name: 2-(1-aziridinyl)-4-(4-chlorophenyl)-4-oxobutanoic acid IUPAC Name: 2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanoic acid Traditional Name: 4-(4-chlorophenyl)-2-ethylenimino-4-keto-butyric acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C12H12ClNO3/c13-9-3-1-8(2-4-9)11(15)7-10(12(16)17)14-5-6-14/h1-4,10H,5-7H2,(H,16,17)