3-(aziridin-1-yl)-2,4-dinitro-benzamide

Systemtic Name: 3-(aziridin-1-yl)-2,4-dinitro-benzamide Openeye Name: 3-(aziridin-1-yl)-2,4-dinitro-benzamide CAS Name: 3-(1-aziridinyl)-2,4-dinitrobenzamide IUPAC Name: 3-(aziridin-1-yl)-2,4-dinitrobenzamide Traditional Name: 3-ethylenimino-2,4-dinitro-benzamide Formula: C9H8N4O5 MolecularWeight: 252.18362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=CC(=C2[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=CC(=C2[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O5/c10-9(14)5-1-2-6(12(15)16)8(11-3-4-11)7(5)13(17)18/h1-2H,3-4H2,(H2,10,14)