N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]acetamide Formula: C19H20BrN3O5 MolecularWeight: 450.2832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H20BrN3O5/c1-12-5-15(20)3-4-17(12)21-18(24)9-22(2)8-13-6-16(23(25)26)7-14-10-27-11-28-19(13)14/h3-7H,8-11H2,1-2H3,(H,21,24)