sodium (2S,3S)-3-phenylaziridine-2-carboxylate

Systemtic Name: sodium (2S,3S)-3-phenylaziridine-2-carboxylate Openeye Name: sodium (2S,3S)-3-phenylaziridine-2-carboxylate CAS Name: sodium (2S,3S)-3-phenyl-2-aziridinecarboxylate IUPAC Name: sodium (2S,3S)-3-phenylaziridine-2-carboxylate Traditional Name: sodium (2S,3S)-3-phenylethylenimine-2-carboxylate Formula: C9H8NNaO2 MolecularWeight: 185.15509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(N2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H](N2)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H9NO2.Na/c11-9(12)8-7(10-8)6-4-2-1-3-5-6;/h1-5,7-8,10H,(H,11,12);/q;+1/p-1/t7-,8-;/m0./s1