2-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methylphenyl)-1,2-oxaziridine-3-carboxylic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methylphenyl)-1,2-oxaziridine-3-carboxylic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(o-tolyl)oxaziridine-3-carboxylic acid CAS Name: 2-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methylphenyl)-3-oxaziridinecarboxylic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methylphenyl)oxaziridine-3-carboxylic acid Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(o-tolyl)oxaziridine-3-carboxylic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(N(O2)C(C)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2(N(O2)C(C)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H17NO5/c1-11-5-3-4-6-14(11)18(17(20)21)19(24-18)12(2)13-7-8-15-16(9-13)23-10-22-15/h3-9,12H,10H2,1-2H3,(H,20,21)