4-bromanyl-3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide

Systemtic Name: 4-bromanyl-3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 4-bromo-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-3-nitro-benzamide CAS Name: 4-bromo-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 4-bromo-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 4-bromo-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-3-nitro-benzamide Formula: C13H16BrN3O4 MolecularWeight: 358.18784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O4/c1-3-6-15-12(18)8(2)16-13(19)9-4-5-10(14)11(7-9)17(20)21/h4-5,7-8H,3,6H2,1-2H3,(H,15,18)(H,16,19)/t8-/m0/s1