(phenylmethyl) 4-isocyanato-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-isocyanato-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-isocyanato-1,4-diazepane-1-carboxylate CAS Name: 4-isocyanato-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-isocyanato-1,4-diazepane-1-carboxylate Traditional Name: 4-isocyanato-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)N=C=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN(C1)N=C=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O3/c18-12-15-17-8-4-7-16(9-10-17)14(19)20-11-13-5-2-1-3-6-13/h1-3,5-6H,4,7-11H2