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

Systemtic Name: benzimidazol-1-yl-(4-morpholin-4-yl-3,5-dinitro-phenyl)methanone Openeye Name: benzimidazol-1-yl-(4-morpholino-3,5-dinitro-phenyl)methanone CAS Name: 1-benzimidazolyl-[4-(4-morpholinyl)-3,5-dinitrophenyl]methanone IUPAC Name: benzimidazol-1-yl-(4-morpholin-4-yl-3,5-dinitrophenyl)methanone Traditional Name: benzimidazol-1-yl-(4-morpholino-3,5-dinitro-phenyl)methanone Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6/c24-18(21-11-19-13-3-1-2-4-14(13)21)12-9-15(22(25)26)17(16(10-12)23(27)28)20-5-7-29-8-6-20/h1-4,9-11H,5-8H2