1-[4-[[4-(aziridin-1-yl)-3-nitro-phenyl]sulfonylmethylsulfonyl]-2-nitro-phenyl]aziridine

Systemtic Name: 1-[4-[[4-(aziridin-1-yl)-3-nitro-phenyl]sulfonylmethylsulfonyl]-2-nitro-phenyl]aziridine Openeye Name: 1-[4-[[4-(aziridin-1-yl)-3-nitro-phenyl]sulfonylmethylsulfonyl]-2-nitro-phenyl]aziridine CAS Name: 1-[4-[[4-(1-aziridinyl)-3-nitrophenyl]sulfonylmethylsulfonyl]-2-nitrophenyl]aziridine IUPAC Name: 1-[4-[[4-(aziridin-1-yl)-3-nitrophenyl]sulfonylmethylsulfonyl]-2-nitrophenyl]aziridine Traditional Name: 1-[4-[(4-ethylenimino-3-nitro-phenyl)sulfonylmethylsulfonyl]-2-nitro-phenyl]ethylenimine Formula: C17H16N4O8S2 MolecularWeight: 468.46094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C=C2)S(=O)(=O)CS(=O)(=O)C3=CC(=C(C=C3)N4CC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C=C2)S(=O)(=O)CS(=O)(=O)C3=CC(=C(C=C3)N4CC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8S2/c22-20(23)16-9-12(1-3-14(16)18-5-6-18)30(26,27)11-31(28,29)13-2-4-15(19-7-8-19)17(10-13)21(24)25/h1-4,9-10H,5-8,11H2