phenyl (2S)-2-isocyano-3-methyl-pentanoate

Systemtic Name: phenyl (2S)-2-isocyano-3-methyl-pentanoate Openeye Name: phenyl (2S)-2-isocyano-3-methyl-pentanoate CAS Name: (2S)-2-isocyano-3-methylpentanoic acid phenyl ester IUPAC Name: phenyl (2S)-2-isocyano-3-methylpentanoate Traditional Name: (2S)-2-isocyano-3-methyl-valeric acid phenyl ester Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=CC=C1)[N+]#[C-]

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC1=CC=CC=C1)[N+]#[C-]

InChI

InChI=1S/C13H15NO2/c1-4-10(2)12(14-3)13(15)16-11-8-6-5-7-9-11/h5-10,12H,4H2,1-2H3/t10?,12-/m0/s1