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

Systemtic Name: 5-(aziridin-1-yl)-3-(4-morpholin-4-ylbutyl)-2,4-dinitro-benzamide Openeye Name: 5-(aziridin-1-yl)-3-(4-morpholinobutyl)-2,4-dinitro-benzamide CAS Name: 5-(1-aziridinyl)-3-[4-(4-morpholinyl)butyl]-2,4-dinitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-3-(4-morpholin-4-ylbutyl)-2,4-dinitrobenzamide Traditional Name: 5-ethylenimino-3-(4-morpholinobutyl)-2,4-dinitro-benzamide Formula: C17H23N5O6 MolecularWeight: 393.39442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=C(C(=C2)C(=O)N)[N+](=O)[O-])CCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C(=C(C(=C2)C(=O)N)[N+](=O)[O-])CCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O6/c18-17(23)13-11-14(20-5-6-20)16(22(26)27)12(15(13)21(24)25)3-1-2-4-19-7-9-28-10-8-19/h11H,1-10H2,(H2,18,23)