(4-nitrophenyl)methyl (4S)-4-oxidanylpent-2-ynoate

Systemtic Name: (4-nitrophenyl)methyl (4S)-4-oxidanylpent-2-ynoate Openeye Name: (4-nitrophenyl)methyl (4S)-4-hydroxypent-2-ynoate CAS Name: (4S)-4-hydroxy-2-pentynoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (4S)-4-hydroxypent-2-ynoate Traditional Name: (4S)-4-hydroxypent-2-ynoic acid (4-nitrobenzyl) ester Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

C[C@@H](C#CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H11NO5/c1-9(14)2-7-12(15)18-8-10-3-5-11(6-4-10)13(16)17/h3-6,9,14H,8H2,1H3/t9-/m0/s1