tert-butyl 3-azanyl-5-[5-(2-chlorophenyl)-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 3-azanyl-5-[5-(2-chlorophenyl)-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-pentanoate Openeye Name: tert-butyl 3-amino-5-[5-(2-chlorophenyl)tetrazol-2-yl]-4-oxo-pentanoate CAS Name: 3-amino-5-[5-(2-chlorophenyl)-2-tetrazolyl]-4-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-5-[5-(2-chlorophenyl)tetrazol-2-yl]-4-oxopentanoate Traditional Name: 3-amino-5-[5-(2-chlorophenyl)tetrazol-2-yl]-4-keto-valeric acid tert-butyl ester Formula: C16H20ClN5O3 MolecularWeight: 365.8147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)CN1N=C(N=N1)C2=CC=CC=C2Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)CN1N=C(N=N1)C2=CC=CC=C2Cl)N

InChI

InChI=1S/C16H20ClN5O3/c1-16(2,3)25-14(24)8-12(18)13(23)9-22-20-15(19-21-22)10-6-4-5-7-11(10)17/h4-7,12H,8-9,18H2,1-3H3