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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(5-pyrrolidin-1-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(5-pyrrolidin-1-yltetrazol-2-yl)acetate CAS Name: 2-[5-(1-pyrrolidinyl)-2-tetrazolyl]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(5-pyrrolidin-1-yltetrazol-2-yl)acetate Traditional Name: 2-(5-pyrrolidinotetrazol-2-yl)acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CN1N=C(N=N1)N2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CN1N=C(N=N1)N2CCCC2

InChI

InChI=1S/C13H21N5O3/c1-13(2,3)10(19)9-21-11(20)8-18-15-12(14-16-18)17-6-4-5-7-17/h4-9H2,1-3H3