(phenylmethyl) 1-isocyanatopiperazine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-isocyanatopiperazine-2-carboxylate Openeye Name: benzyl 1-isocyanatopiperazine-2-carboxylate CAS Name: 1-isocyanato-2-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-isocyanatopiperazine-2-carboxylate Traditional Name: 1-isocyanatopiperazine-2-carboxylic acid benzyl ester Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)OCC2=CC=CC=C2)N=C=O

Isomeric SMILES

C1CN(C(CN1)C(=O)OCC2=CC=CC=C2)N=C=O

InChI

InChI=1S/C13H15N3O3/c17-10-15-16-7-6-14-8-12(16)13(18)19-9-11-4-2-1-3-5-11/h1-5,12,14H,6-9H2