tert-butyl (E)-3-[4-(2-tert-butyl-1,2,3,4-tetrazol-5-yl)phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[4-(2-tert-butyl-1,2,3,4-tetrazol-5-yl)phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[4-(2-tert-butyltetrazol-5-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-tert-butyl-5-tetrazolyl)phenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[4-(2-tert-butyltetrazol-5-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-tert-butyltetrazol-5-yl)phenyl]acrylic acid tert-butyl ester Formula: C18H24N4O2 MolecularWeight: 328.40876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1N=C(N=N1)C2=CC=C(C=C2)C=CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)N1N=C(N=N1)C2=CC=C(C=C2)/C=C/C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N4O2/c1-17(2,3)22-20-16(19-21-22)14-10-7-13(8-11-14)9-12-15(23)24-18(4,5)6/h7-12H,1-6H3/b12-9+