N-(4-bromanyl-2-methyl-phenyl)-2-[2-(3-nitrophenoxy)ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(3-nitrophenoxy)ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3-nitrophenoxy)acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(3-nitrophenoxy)acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(3-nitrophenoxy)acetyl]amino]acetamide Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O5/c1-11-7-12(18)5-6-15(11)20-16(22)9-19-17(23)10-26-14-4-2-3-13(8-14)21(24)25/h2-8H,9-10H2,1H3,(H,19,23)(H,20,22)