O2,O2'-diethyl O1-(phenylmethyl) 3-cyanoaziridine-1,2,2-tricarboxylate

Systemtic Name: O2,O2'-diethyl O1-(phenylmethyl) 3-cyanoaziridine-1,2,2-tricarboxylate Openeye Name: O1-benzyl O2,O2'-diethyl 3-cyanoaziridine-1,2,2-tricarboxylate CAS Name: 3-cyanoaziridine-1,2,2-tricarboxylic acid O2,O2'-diethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O,2-O'-diethyl 3-cyanoaziridine-1,2,2-tricarboxylate Traditional Name: 3-cyanoethylenimine-1,2,2-tricarboxylic acid O1-benzyl ester O2,O2'-diethyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N1C(=O)OCC2=CC=CC=C2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C(N1C(=O)OCC2=CC=CC=C2)C#N)C(=O)OCC

InChI

InChI=1S/C17H18N2O6/c1-3-23-14(20)17(15(21)24-4-2)13(10-18)19(17)16(22)25-11-12-8-6-5-7-9-12/h5-9,13H,3-4,11H2,1-2H3