(4-nitrophenyl)methyl 2-cyanoaziridine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-cyanoaziridine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-cyanoaziridine-1-carboxylate CAS Name: 2-cyano-1-aziridinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-cyanoaziridine-1-carboxylate Traditional Name: 2-cyanoethylenimine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1C(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H9N3O4/c12-5-10-6-13(10)11(15)18-7-8-1-3-9(4-2-8)14(16)17/h1-4,10H,6-7H2