N-[4-(2-bromanylethanoyl)-2-methyl-6-nitro-phenyl]butanamide

Systemtic Name: N-[4-(2-bromanylethanoyl)-2-methyl-6-nitro-phenyl]butanamide Openeye Name: N-[4-(2-bromoacetyl)-2-methyl-6-nitro-phenyl]butanamide CAS Name: N-[4-(2-bromo-1-oxoethyl)-2-methyl-6-nitrophenyl]butanamide IUPAC Name: N-[4-(2-bromoacetyl)-2-methyl-6-nitrophenyl]butanamide Traditional Name: N-[4-(2-bromoacetyl)-2-methyl-6-nitro-phenyl]butyramide Formula: C13H15BrN2O4 MolecularWeight: 343.1732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)CBr)C

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)CBr)C

InChI

InChI=1S/C13H15BrN2O4/c1-3-4-12(18)15-13-8(2)5-9(11(17)7-14)6-10(13)16(19)20/h5-6H,3-4,7H2,1-2H3,(H,15,18)