methyl (E)-2-(azidomethyl)-3-(2-ethynylphenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-(azidomethyl)-3-(2-ethynylphenyl)prop-2-enoate Openeye Name: methyl (E)-2-(azidomethyl)-3-(2-ethynylphenyl)prop-2-enoate CAS Name: (E)-2-(azidomethyl)-3-(2-ethynylphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(azidomethyl)-3-(2-ethynylphenyl)prop-2-enoate Traditional Name: (E)-2-(azidomethyl)-3-(2-ethynylphenyl)acrylic acid methyl ester Formula: C13H11N3O2 MolecularWeight: 241.24534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1C#C)CN=[N+]=[N-]

Isomeric SMILES

COC(=O)/C(=C/C1=CC=CC=C1C#C)/CN=[N+]=[N-]

InChI

InChI=1S/C13H11N3O2/c1-3-10-6-4-5-7-11(10)8-12(9-15-16-14)13(17)18-2/h1,4-8H,9H2,2H3/b12-8+