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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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