N-(2-bromanyl-4-nitro-phenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(2-bromo-4-nitrophenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-4-morpholino-3-nitro-benzamide Formula: C17H15BrN4O6 MolecularWeight: 451.2282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN4O6/c18-13-10-12(21(24)25)2-3-14(13)19-17(23)11-1-4-15(16(9-11)22(26)27)20-5-7-28-8-6-20/h1-4,9-10H,5-8H2,(H,19,23)