methyl (E)-2-isocyanato-5-phenyl-pent-4-enoate

Systemtic Name: methyl (E)-2-isocyanato-5-phenyl-pent-4-enoate Openeye Name: methyl (E)-2-isocyanato-5-phenyl-pent-4-enoate CAS Name: (E)-2-isocyanato-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-isocyanato-5-phenylpent-4-enoate Traditional Name: (E)-2-isocyanato-5-phenyl-pent-4-enoic acid methyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CC1=CC=CC=C1)N=C=O

Isomeric SMILES

COC(=O)C(C/C=C/C1=CC=CC=C1)N=C=O

InChI

InChI=1S/C13H13NO3/c1-17-13(16)12(14-10-15)9-5-8-11-6-3-2-4-7-11/h2-8,12H,9H2,1H3/b8-5+