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

Systemtic Name: 5-(aziridin-1-yl)-N-(3-morpholin-4-ylpropyl)-2,4-dinitro-benzamide Openeye Name: 5-(aziridin-1-yl)-N-(3-morpholinopropyl)-2,4-dinitro-benzamide CAS Name: 5-(1-aziridinyl)-N-[3-(4-morpholinyl)propyl]-2,4-dinitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide Traditional Name: 5-ethylenimino-N-(3-morpholinopropyl)-2,4-dinitro-benzamide Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C(=C2)C(=O)NCCCN3CCOCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)NCCCN3CCOCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O6/c22-16(17-2-1-3-18-6-8-27-9-7-18)12-10-14(19-4-5-19)15(21(25)26)11-13(12)20(23)24/h10-11H,1-9H2,(H,17,22)