2-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide

Systemtic Name: 2-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide Openeye Name: 2-(2-morpholinoethyl)-3,5-dinitro-benzamide CAS Name: 2-[2-(4-morpholinyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: 2-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide Traditional Name: 2-(2-morpholinoethyl)-3,5-dinitro-benzamide Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC2=C(C=C(C=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCC2=C(C=C(C=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O6/c14-13(18)11-7-9(16(19)20)8-12(17(21)22)10(11)1-2-15-3-5-23-6-4-15/h7-8H,1-6H2,(H2,14,18)