ethyl 3-(3-azido-4,4-dimethyl-pent-1-en-2-yl)benzoate

Systemtic Name: ethyl 3-(3-azido-4,4-dimethyl-pent-1-en-2-yl)benzoate Openeye Name: ethyl 3-(2-azido-3,3-dimethyl-1-methylene-butyl)benzoate CAS Name: 3-(3-azido-4,4-dimethylpent-1-en-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(3-azido-4,4-dimethylpent-1-en-2-yl)benzoate Traditional Name: 3-[1-(1-azido-2,2-dimethyl-propyl)vinyl]benzoic acid ethyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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