[(1S)-1-cyanoethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [(1S)-1-cyanoethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [(1S)-1-cyanoethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [(1S)-1-cyanoethyl] ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c1-8(6-13)18-12(16)9-2-4-10(5-3-9)17-7-11(14)15/h2-5,8H,7H2,1H3,(H2,14,15)/t8-/m0/s1