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

Systemtic Name: 4-morpholin-4-yl-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Openeye Name: 4-morpholino-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide CAS Name: 4-(4-morpholinyl)-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide IUPAC Name: 4-morpholin-4-yl-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Traditional Name: 4-morpholino-3,5-dinitro-N-(1,2,4-triazol-4-yl)benzamide Formula: C13H13N7O6 MolecularWeight: 363.28562

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NN3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NN3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O6/c21-13(16-18-7-14-15-8-18)9-5-10(19(22)23)12(11(6-9)20(24)25)17-1-3-26-4-2-17/h5-8H,1-4H2,(H,16,21)