N-(4-methoxy-2-nitro-phenyl)-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(4-methoxy-2-nitro-phenyl)-5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-(4-methoxy-2-nitrophenyl)-5-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(4-methoxy-2-nitrophenyl)-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: (4-methoxy-2-nitro-phenyl)-(6-morpholino-7-nitro-benzofurazan-4-yl)amine Formula: C17H16N6O7 MolecularWeight: 416.34494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O7/c1-28-10-2-3-11(13(8-10)22(24)25)18-12-9-14(21-4-6-29-7-5-21)17(23(26)27)16-15(12)19-30-20-16/h2-3,8-9,18H,4-7H2,1H3