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

Systemtic Name: 5-(aziridin-1-yl)-N-(4-morpholin-4-ylbutyl)-2,4-dinitro-benzamide Openeye Name: 5-(aziridin-1-yl)-N-(4-morpholinobutyl)-2,4-dinitro-benzamide CAS Name: 5-(1-aziridinyl)-N-[4-(4-morpholinyl)butyl]-2,4-dinitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-N-(4-morpholin-4-ylbutyl)-2,4-dinitrobenzamide Traditional Name: 5-ethylenimino-N-(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)NCCCCN3CCOCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)NCCCCN3CCOCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O6/c23-17(18-3-1-2-4-19-7-9-28-10-8-19)13-11-15(20-5-6-20)16(22(26)27)12-14(13)21(24)25/h11-12H,1-10H2,(H,18,23)