ethyl 4-(1-azido-3-methyl-but-2-en-2-yl)benzoate

Systemtic Name: ethyl 4-(1-azido-3-methyl-but-2-en-2-yl)benzoate Openeye Name: ethyl 4-[1-(azidomethyl)-2-methyl-prop-1-enyl]benzoate CAS Name: 4-(1-azido-3-methylbut-2-en-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(1-azido-3-methylbut-2-en-2-yl)benzoate Traditional Name: 4-[1-(azidomethyl)-2-methyl-prop-1-enyl]benzoic acid ethyl ester Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-4-19-14(18)12-7-5-11(6-8-12)13(10(2)3)9-16-17-15/h5-8H,4,9H2,1-3H3