methyl (E)-2-(azidomethyl)-5-(4-chlorophenyl)pent-2-en-4-ynoate

Systemtic Name: methyl (E)-2-(azidomethyl)-5-(4-chlorophenyl)pent-2-en-4-ynoate Openeye Name: methyl (E)-2-(azidomethyl)-5-(4-chlorophenyl)pent-2-en-4-ynoate CAS Name: (E)-2-(azidomethyl)-5-(4-chlorophenyl)pent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-2-(azidomethyl)-5-(4-chlorophenyl)pent-2-en-4-ynoate Traditional Name: (E)-2-(azidomethyl)-5-(4-chlorophenyl)pent-2-en-4-ynoic acid methyl ester Formula: C13H10ClN3O2 MolecularWeight: 275.6904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC#CC1=CC=C(C=C1)Cl)CN=[N+]=[N-]

Isomeric SMILES

COC(=O)/C(=C/C#CC1=CC=C(C=C1)Cl)/CN=[N+]=[N-]

InChI

InChI=1S/C13H10ClN3O2/c1-19-13(18)11(9-16-17-15)4-2-3-10-5-7-12(14)8-6-10/h4-8H,9H2,1H3/b11-4+