[5-(3-aminophenyl)-1,2,3,4-tetrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-(3-aminophenyl)-1,2,3,4-tetrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [5-(3-aminophenyl)tetrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-(3-aminophenyl)-1-tetrazolyl]methyl ester IUPAC Name: [5-(3-aminophenyl)tetrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-(3-aminophenyl)tetrazol-1-yl]methyl ester Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=NN=N1)C2=CC(=CC=C2)N

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=NN=N1)C2=CC(=CC=C2)N

InChI

InChI=1S/C13H17N5O2/c1-13(2,3)12(19)20-8-18-11(15-16-17-18)9-5-4-6-10(14)7-9/h4-7H,8,14H2,1-3H3