tert-butyl 2-[5-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: tert-butyl 2-[5-(4-carbamoylphenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-carbamoylphenyl)-2-tetrazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(4-carbamoylphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(4-carbamoylphenyl)tetrazol-2-yl]acetic acid tert-butyl ester Formula: C14H17N5O3 MolecularWeight: 303.31648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3/c1-14(2,3)22-11(20)8-19-17-13(16-18-19)10-6-4-9(5-7-10)12(15)21/h4-7H,8H2,1-3H3,(H2,15,21)