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

Systemtic Name: 5-(aziridin-1-yl)-N-methyl-N-(2-morpholin-4-ylethyl)-2,4-dinitro-benzamide Openeye Name: 5-(aziridin-1-yl)-N-methyl-N-(2-morpholinoethyl)-2,4-dinitro-benzamide CAS Name: 5-(1-aziridinyl)-N-methyl-N-[2-(4-morpholinyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-N-methyl-N-(2-morpholin-4-ylethyl)-2,4-dinitrobenzamide Traditional Name: 5-ethylenimino-N-methyl-N-(2-morpholinoethyl)-2,4-dinitro-benzamide Formula: C16H21N5O6 MolecularWeight: 379.36784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCOCC1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N3CC3

Isomeric SMILES

CN(CCN1CCOCC1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N3CC3

InChI

InChI=1S/C16H21N5O6/c1-17(2-3-18-6-8-27-9-7-18)16(22)12-10-14(19-4-5-19)15(21(25)26)11-13(12)20(23)24/h10-11H,2-9H2,1H3