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

Systemtic Name: 2-(aziridin-1-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide Openeye Name: 2-(aziridin-1-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide CAS Name: 2-(1-aziridinyl)-N-[2-(4-morpholinyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: 2-(aziridin-1-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide Traditional Name: 2-ethylenimino-N-(2-morpholinoethyl)-3,5-dinitro-benzamide Formula: C15H19N5O6 MolecularWeight: 365.34126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C=C2C(=O)NCCN3CCOCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C=C2C(=O)NCCN3CCOCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O6/c21-15(16-1-2-17-5-7-26-8-6-17)12-9-11(19(22)23)10-13(20(24)25)14(12)18-3-4-18/h9-10H,1-8H2,(H,16,21)