(phenylmethyl) (3S)-3-isocyano-4-[methoxy(methyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-isocyano-4-[methoxy(methyl)amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-isocyano-4-[methoxy(methyl)amino]-4-oxo-butanoate CAS Name: (3S)-3-isocyano-4-[methoxy(methyl)amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-isocyano-4-[methoxy(methyl)amino]-4-oxobutanoate Traditional Name: (3S)-3-isocyano-4-keto-4-[methoxy(methyl)amino]butyric acid benzyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-15-12(14(18)16(2)19-3)9-13(17)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,2-3H3/t12-/m0/s1