ethyl 3-(3-azidohept-1-en-2-yl)benzoate

Systemtic Name: ethyl 3-(3-azidohept-1-en-2-yl)benzoate Openeye Name: ethyl 3-(2-azido-1-methylene-hexyl)benzoate CAS Name: 3-(3-azidohept-1-en-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(3-azidohept-1-en-2-yl)benzoate Traditional Name: 3-[1-(1-azidopentyl)vinyl]benzoic acid ethyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=C)C1=CC(=CC=C1)C(=O)OCC)N=[N+]=[N-]

Isomeric SMILES

CCCCC(C(=C)C1=CC(=CC=C1)C(=O)OCC)N=[N+]=[N-]

InChI

InChI=1S/C16H21N3O2/c1-4-6-10-15(18-19-17)12(3)13-8-7-9-14(11-13)16(20)21-5-2/h7-9,11,15H,3-6,10H2,1-2H3