[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-8(11(17)16-13(19)15-2)20-12(18)10-5-3-4-9(6-10)7-14/h3-6,8H,1-2H3,(H2,15,16,17,19)/t8-/m1/s1