N-(4-bromanyl-3-methyl-phenyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-morpholino-5-nitro-benzamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-morpholino-5-nitro-benzamide Formula: C18H18BrN3O4 MolecularWeight: 420.25722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)Br

InChI

InChI=1S/C18H18BrN3O4/c1-12-10-13(2-4-16(12)19)20-18(23)15-11-14(22(24)25)3-5-17(15)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,23)