ethyl 4-[(Z)-1-azido-4,4-dimethyl-pent-2-en-2-yl]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-5-21-15(20)13-8-6-12(7-9-13)14(11-18-19-17)10-16(2,3)4/h6-10H,5,11H2,1-4H3/b14-10+