N-methyl-4-nitro-N-[(2S)-5-oxidanyl-1-oxidanylidene-1-[oxidanyl(prop-2-ynyl)amino]pentan-2-yl]benzamide

Systemtic Name: N-methyl-4-nitro-N-[(2S)-5-oxidanyl-1-oxidanylidene-1-[oxidanyl(prop-2-ynyl)amino]pentan-2-yl]benzamide Openeye Name: N-[(1S)-4-hydroxy-1-[hydroxy(prop-2-ynyl)carbamoyl]butyl]-N-methyl-4-nitro-benzamide CAS Name: N-[(2S)-5-hydroxy-1-[hydroxy(prop-2-ynyl)amino]-1-oxopentan-2-yl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-5-hydroxy-1-[hydroxy(prop-2-ynyl)amino]-1-oxopentan-2-yl]-N-methyl-4-nitrobenzamide Traditional Name: N-[(1S)-4-hydroxy-1-[hydroxy(propargyl)carbamoyl]butyl]-N-methyl-4-nitro-benzamide Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-3-10-18(23)16(22)14(5-4-11-20)17(2)15(21)12-6-8-13(9-7-12)19(24)25/h1,6-9,14,20,23H,4-5,10-11H2,2H3/t14-/m0/s1