(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(3-nitrophenyl)amino]propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(3-nitrophenyl)amino]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(3-nitroanilino)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(3-nitroanilino)propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(3-nitroanilino)propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(3-nitroanilino)propionamide Formula: C16H16BrN3O3 MolecularWeight: 378.22054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)NC2=CC(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)NC2=CC(=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H16BrN3O3/c1-10-6-7-15(14(17)8-10)19-16(21)11(2)18-12-4-3-5-13(9-12)20(22)23/h3-9,11,18H,1-2H3,(H,19,21)/t11-/m0/s1