2-[3-[4-(1,2-diaziridin-3-yl)phenyl]-2-oxidanylidene-imidazol-1-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[3-[4-(1,2-diaziridin-3-yl)phenyl]-2-oxidanylidene-imidazol-1-yl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[3-[4-(diaziridin-3-yl)phenyl]-2-oxo-imidazol-1-yl]-3,3-dimethyl-butanoic acid CAS Name: 2-[3-[4-(3-diaziridinyl)phenyl]-2-oxo-1-imidazolyl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[3-[4-(diaziridin-3-yl)phenyl]-2-oxoimidazol-1-yl]-3,3-dimethylbutanoic acid Traditional Name: 2-[3-[4-(diaziridin-3-yl)phenyl]-2-keto-4-imidazolin-1-yl]-3,3-dimethyl-butyric acid Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)N1C=CN(C1=O)C2=CC=C(C=C2)C3NN3

Isomeric SMILES

CC(C)(C)C(C(=O)O)N1C=CN(C1=O)C2=CC=C(C=C2)C3NN3

InChI

InChI=1S/C16H20N4O3/c1-16(2,3)12(14(21)22)20-9-8-19(15(20)23)11-6-4-10(5-7-11)13-17-18-13/h4-9,12-13,17-18H,1-3H3,(H,21,22)