5-(aziridin-1-yl)-2,4-dinitro-cyclohexa-1,4-diene-1-carboxamide

Systemtic Name: 5-(aziridin-1-yl)-2,4-dinitro-cyclohexa-1,4-diene-1-carboxamide Openeye Name: 5-(aziridin-1-yl)-2,4-dinitro-cyclohexa-1,4-diene-1-carboxamide CAS Name: 5-(1-aziridinyl)-2,4-dinitro-1-cyclohexa-1,4-dienecarboxamide IUPAC Name: 5-(aziridin-1-yl)-2,4-dinitrocyclohexa-1,4-diene-1-carboxamide Traditional Name: 5-ethylenimino-2,4-dinitro-cyclohexa-1,4-diene-1-carboxamide Formula: C9H10N4O5 MolecularWeight: 254.1995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h1-4H2,(H2,10,14)