(phenylmethyl) 2-(3-isocyanatophenyl)ethanoate

Systemtic Name: (phenylmethyl) 2-(3-isocyanatophenyl)ethanoate Openeye Name: benzyl 2-(3-isocyanatophenyl)acetate CAS Name: 2-(3-isocyanatophenyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-isocyanatophenyl)acetate Traditional Name: 2-(3-isocyanatophenyl)acetic acid benzyl ester Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC2=CC(=CC=C2)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC2=CC(=CC=C2)N=C=O

InChI

InChI=1S/C16H13NO3/c18-12-17-15-8-4-7-14(9-15)10-16(19)20-11-13-5-2-1-3-6-13/h1-9H,10-11H2