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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Br)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Br)N3CCOCC3)[N+](=O)[O-]

InChI

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