(phenylmethyl) (NE)-N-[(2-aminocarbonylaziridin-1-yl)-(phenylmethoxyamino)methylidene]carbamate

Systemtic Name: (phenylmethyl) (NE)-N-[(2-aminocarbonylaziridin-1-yl)-(phenylmethoxyamino)methylidene]carbamate Openeye Name: benzyl (NE)-N-[(benzyloxyamino)-(2-carbamoylaziridin-1-yl)methylene]carbamate CAS Name: (NE)-N-[(2-carbamoyl-1-aziridinyl)-(phenylmethoxyamino)methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl (NE)-N-[(2-carbamoylaziridin-1-yl)-(phenylmethoxyamino)methylidene]carbamate Traditional Name: (NE)-N-[(benzoxyamino)-(2-carbamoylethylenimin-1-yl)methylene]carbamic acid benzyl ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(=NC(=O)OCC2=CC=CC=C2)NOCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C(N1/C(=N\C(=O)OCC2=CC=CC=C2)/NOCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H20N4O4/c20-17(24)16-11-23(16)18(22-27-13-15-9-5-2-6-10-15)21-19(25)26-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H2,20,24)(H,21,22,25)