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

Systemtic Name: sodium (2S,3S)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate Openeye Name: sodium (2S,3S)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate CAS Name: sodium (2S,3S)-3-(1,3-benzodioxol-5-yl)-2-aziridinecarboxylate IUPAC Name: sodium (2S,3S)-3-(1,3-benzodioxol-5-yl)aziridine-2-carboxylate Traditional Name: sodium (2S,3S)-3-(1,3-benzodioxol-5-yl)ethylenimine-2-carboxylate Formula: C10H8NNaO4 MolecularWeight: 229.16459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(N3)C(=O)[O-].[Na+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H]3[C@H](N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C10H9NO4.Na/c12-10(13)9-8(11-9)5-1-2-6-7(3-5)15-4-14-6;/h1-3,8-9,11H,4H2,(H,12,13);/q;+1/p-1/t8-,9-;/m0./s1