(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-methanoyl-2-nitro-phenoxy)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-methanoyl-2-nitro-phenoxy)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-formyl-2-nitro-phenoxy)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-formyl-2-nitro-phenoxy)propionamide Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O5/c1-10-3-5-14(13(18)7-10)19-17(22)11(2)25-16-6-4-12(9-21)8-15(16)20(23)24/h3-9,11H,1-2H3,(H,19,22)/t11-/m0/s1