ethyl (2S,3S)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate

Systemtic Name: ethyl (2S,3S)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate Openeye Name: ethyl (2S,3S)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate CAS Name: (2S,3S)-3-(1,3-benzodioxol-5-yl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate Traditional Name: (2S,3S)-3-(1,3-benzodioxol-5-yl)ethylenimine-2-carboxylic acid ethyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](N1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H13NO4/c1-2-15-12(14)11-10(13-11)7-3-4-8-9(5-7)17-6-16-8/h3-5,10-11,13H,2,6H2,1H3/t10-,11-/m0/s1