(phenylmethyl) (2R)-2-(3,5-dimethylpyrazol-1-yl)carbonylaziridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-2-(3,5-dimethylpyrazol-1-yl)carbonylaziridine-1-carboxylate Openeye Name: benzyl (2R)-2-(3,5-dimethylpyrazole-1-carbonyl)aziridine-1-carboxylate CAS Name: (2R)-2-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-1-aziridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-(3,5-dimethylpyrazole-1-carbonyl)aziridine-1-carboxylate Traditional Name: (2R)-2-(3,5-dimethylpyrazole-1-carbonyl)ethylenimine-1-carboxylic acid benzyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2CN2C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C(=O)[C@H]2CN2C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C16H17N3O3/c1-11-8-12(2)19(17-11)15(20)14-9-18(14)16(21)22-10-13-6-4-3-5-7-13/h3-8,14H,9-10H2,1-2H3/t14-,18?/m1/s1