1-[(2-cyanoaziridin-1-yl)-(3-nitrophenyl)methyl]aziridine-2-carboxamide

Systemtic Name: 1-[(2-cyanoaziridin-1-yl)-(3-nitrophenyl)methyl]aziridine-2-carboxamide Openeye Name: 1-[(2-cyanoaziridin-1-yl)-(3-nitrophenyl)methyl]aziridine-2-carboxamide CAS Name: 1-[(2-cyano-1-aziridinyl)-(3-nitrophenyl)methyl]-2-aziridinecarboxamide IUPAC Name: 1-[(2-cyanoaziridin-1-yl)-(3-nitrophenyl)methyl]aziridine-2-carboxamide Traditional Name: 1-[(2-cyanoethylenimin-1-yl)-(3-nitrophenyl)methyl]ethylenimine-2-carboxamide Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(C2=CC(=CC=C2)[N+](=O)[O-])N3CC3C(=O)N)C#N

Isomeric SMILES

C1C(N1C(C2=CC(=CC=C2)[N+](=O)[O-])N3CC3C(=O)N)C#N

InChI

InChI=1S/C13H13N5O3/c14-5-10-6-16(10)13(17-7-11(17)12(15)19)8-2-1-3-9(4-8)18(20)21/h1-4,10-11,13H,6-7H2,(H2,15,19)