3-methyl-1-(phenylmethoxycarbonylamino)aziridine-2-carboxylic acid

Systemtic Name: 3-methyl-1-(phenylmethoxycarbonylamino)aziridine-2-carboxylic acid Openeye Name: 1-(benzyloxycarbonylamino)-3-methyl-aziridine-2-carboxylic acid CAS Name: 3-methyl-1-(phenylmethoxycarbonylamino)-2-aziridinecarboxylic acid IUPAC Name: 3-methyl-1-(phenylmethoxycarbonylamino)aziridine-2-carboxylic acid Traditional Name: 1-(benzyloxycarbonylamino)-3-methyl-ethylenimine-2-carboxylic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N1NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1C(N1NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H14N2O4/c1-8-10(11(15)16)14(8)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,17)(H,15,16)