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

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(3-bromo-4-methyl-phenyl)-7-morpholino-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-(3-bromo-4-methylphenyl)-7-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(3-bromo-4-methylphenyl)-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: (3-bromo-4-methyl-phenyl)-(7-morpholino-4-nitro-benzofurazan-5-yl)amine Formula: C17H16BrN5O4 MolecularWeight: 434.24404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCOCC4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCOCC4)[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrN5O4/c1-10-2-3-11(8-12(10)18)19-13-9-14(22-4-6-26-7-5-22)15-16(21-27-20-15)17(13)23(24)25/h2-3,8-9,19H,4-7H2,1H3