N-methyl-4-nitro-N-[(2S)-5-oxidanyl-1-oxidanylidene-1-(1-oxidanylprop-2-enylamino)pentan-2-yl]benzamide

Systemtic Name: N-methyl-4-nitro-N-[(2S)-5-oxidanyl-1-oxidanylidene-1-(1-oxidanylprop-2-enylamino)pentan-2-yl]benzamide Openeye Name: N-[(1S)-4-hydroxy-1-(1-hydroxyallylcarbamoyl)butyl]-N-methyl-4-nitro-benzamide CAS Name: N-[(2S)-5-hydroxy-1-(1-hydroxyprop-2-enylamino)-1-oxopentan-2-yl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-5-hydroxy-1-(1-hydroxyprop-2-enylamino)-1-oxopentan-2-yl]-N-methyl-4-nitrobenzamide Traditional Name: N-[(1S)-4-hydroxy-1-(1-hydroxyallylcarbamoyl)butyl]-N-methyl-4-nitro-benzamide Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCO)C(=O)NC(C=C)O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CCCO)C(=O)NC(C=C)O)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6/c1-3-14(21)17-15(22)13(5-4-10-20)18(2)16(23)11-6-8-12(9-7-11)19(24)25/h3,6-9,13-14,20-21H,1,4-5,10H2,2H3,(H,17,22)/t13-,14?/m0/s1