1-(4-chloranyl-2-nitro-phenyl)-3-(3-oxidanylideneaziridin-2-yl)-2-propyl-propane-1,3-dione

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-3-(3-oxidanylideneaziridin-2-yl)-2-propyl-propane-1,3-dione Openeye Name: 1-(4-chloro-2-nitro-phenyl)-3-(3-oxoaziridin-2-yl)-2-propyl-propane-1,3-dione CAS Name: 1-(4-chloro-2-nitrophenyl)-3-(3-oxo-2-aziridinyl)-2-propylpropane-1,3-dione IUPAC Name: 1-(4-chloro-2-nitrophenyl)-3-(3-oxoaziridin-2-yl)-2-propylpropane-1,3-dione Traditional Name: 1-(4-chloro-2-nitro-phenyl)-3-(3-ketoethylenimin-2-yl)-2-propyl-propane-1,3-dione Formula: C14H13ClN2O5 MolecularWeight: 324.71642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1C(=O)N1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)C1C(=O)N1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O5/c1-2-3-9(13(19)11-14(20)16-11)12(18)8-5-4-7(15)6-10(8)17(21)22/h4-6,9,11H,2-3H2,1H3,(H,16,20)