[5-(aziridin-1-yl)-2,4-dinitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [5-(aziridin-1-yl)-2,4-dinitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [5-(aziridin-1-yl)-2,4-dinitro-phenyl]-morpholino-methanone CAS Name: [5-(1-aziridinyl)-2,4-dinitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [5-(aziridin-1-yl)-2,4-dinitrophenyl]-morpholin-4-ylmethanone Traditional Name: (5-ethylenimino-2,4-dinitro-phenyl)-morpholino-methanone Formula: C13H14N4O6 MolecularWeight: 322.27346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C(=C2)C(=O)N3CCOCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)N3CCOCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6/c18-13(15-3-5-23-6-4-15)9-7-11(14-1-2-14)12(17(21)22)8-10(9)16(19)20/h7-8H,1-6H2