[(1S)-2-azanyl-1-[(2S)-2-methyloxiran-2-yl]-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [(1S)-2-azanyl-1-[(2S)-2-methyloxiran-2-yl]-2-oxidanylidene-ethyl] benzoate Openeye Name: [(1S)-2-amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(1S)-2-amino-1-[(2S)-2-methyl-2-oxiranyl]-2-oxoethyl] ester IUPAC Name: [(1S)-2-amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] benzoate Traditional Name: benzoic acid [(1S)-2-amino-2-keto-1-[(2S)-2-methyloxiran-2-yl]ethyl] ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CO1)C(C(=O)N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@]1(CO1)[C@@H](C(=O)N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO4/c1-12(7-16-12)9(10(13)14)17-11(15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,13,14)/t9-,12+/m1/s1