N-(4-bromanyl-2,6-dimethyl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-morpholino-3-nitro-benzamide Formula: C19H20BrN3O4 MolecularWeight: 434.2838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)Br

InChI

InChI=1S/C19H20BrN3O4/c1-12-9-15(20)10-13(2)18(12)21-19(24)14-3-4-16(17(11-14)23(25)26)22-5-7-27-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,21,24)