(3,3-dimethyl-2-oxidanylidene-butyl) 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(5-phenyltetrazol-2-yl)acetate CAS Name: 2-(5-phenyl-2-tetrazolyl)acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(5-phenyltetrazol-2-yl)acetate Traditional Name: 2-(5-phenyltetrazol-2-yl)acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CN1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CN1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H18N4O3/c1-15(2,3)12(20)10-22-13(21)9-19-17-14(16-18-19)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3