(3,3-dimethyl-2-oxidanylidene-butyl) (Z)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (Z)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (Z)-2-(5-methyltetrazol-1-yl)-3-phenyl-prop-2-enoate CAS Name: (Z)-2-(5-methyl-1-tetrazolyl)-3-phenyl-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate Traditional Name: (Z)-2-(5-methyltetrazol-1-yl)-3-phenyl-acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=NN1C(=CC2=CC=CC=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C17H20N4O3/c1-12-18-19-20-21(12)14(10-13-8-6-5-7-9-13)16(23)24-11-15(22)17(2,3)4/h5-10H,11H2,1-4H3/b14-10-