(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(3-nitrophenoxy)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(3-nitrophenoxy)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(3-nitrophenoxy)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(3-nitrophenoxy)propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(3-nitrophenoxy)propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(3-nitrophenoxy)propionamide Formula: C16H15BrN2O4 MolecularWeight: 379.2053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O4/c1-10-6-7-15(14(17)8-10)18-16(20)11(2)23-13-5-3-4-12(9-13)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m0/s1