benzotriazol-1-yl-(4-morpholin-4-yl-3,5-dinitro-phenyl)methanone

Systemtic Name: benzotriazol-1-yl-(4-morpholin-4-yl-3,5-dinitro-phenyl)methanone Openeye Name: benzotriazol-1-yl-(4-morpholino-3,5-dinitro-phenyl)methanone CAS Name: 1-benzotriazolyl-[4-(4-morpholinyl)-3,5-dinitrophenyl]methanone IUPAC Name: benzotriazol-1-yl-(4-morpholin-4-yl-3,5-dinitrophenyl)methanone Traditional Name: benzotriazol-1-yl-(4-morpholino-3,5-dinitro-phenyl)methanone Formula: C17H14N6O6 MolecularWeight: 398.32966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O6/c24-17(21-13-4-2-1-3-12(13)18-19-21)11-9-14(22(25)26)16(15(10-11)23(27)28)20-5-7-29-8-6-20/h1-4,9-10H,5-8H2