2-[(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-5-nitro-benzonitrile CAS Name: 2-[[5-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-5-nitrobenzonitrile Traditional Name: 2-[(6-morpholino-7-nitro-benzofurazan-4-yl)amino]-5-nitro-benzonitrile Formula: C17H13N7O6 MolecularWeight: 411.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O6/c18-9-10-7-11(23(25)26)1-2-12(10)19-13-8-14(22-3-5-29-6-4-22)17(24(27)28)16-15(13)20-30-21-16/h1-2,7-8,19H,3-6H2