methyl 4-[4-(2-azido-1-chloranyl-ethyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(2-azido-1-chloranyl-ethyl)phenyl]butanoate Openeye Name: methyl 4-[4-(2-azido-1-chloro-ethyl)phenyl]butanoate CAS Name: 4-[4-(2-azido-1-chloroethyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(2-azido-1-chloroethyl)phenyl]butanoate Traditional Name: 4-[4-(2-azido-1-chloro-ethyl)phenyl]butyric acid methyl ester Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CN=[N+]=[N-])Cl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CN=[N+]=[N-])Cl

InChI

InChI=1S/C13H16ClN3O2/c1-19-13(18)4-2-3-10-5-7-11(8-6-10)12(14)9-16-17-15/h5-8,12H,2-4,9H2,1H3