(phenylmethyl) N-[(2S)-4-cyano-3,4-bis(oxidanylidene)butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-4-cyano-3,4-bis(oxidanylidene)butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-3-cyano-1-methyl-2,3-dioxo-propyl]carbamate CAS Name: N-[(2S)-4-cyano-3,4-dioxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-4-cyano-3,4-dioxobutan-2-yl]carbamate Traditional Name: N-[(1S)-3-cyano-2,3-diketo-1-methyl-propyl]carbamic acid benzyl ester Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=O)C#N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4/c1-9(12(17)11(16)7-14)15-13(18)19-8-10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,15,18)/t9-/m0/s1