(5S,7R)-3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(5-methyl-2-tetrazolyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxylate Formula: C13H17N4O2- MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)C(=O)[O-]

Isomeric SMILES

CC1=NN(N=N1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C(=O)[O-]

InChI

InChI=1S/C13H18N4O2/c1-8-14-16-17(15-8)13-5-9-2-10(6-13)4-12(3-9,7-13)11(18)19/h9-10H,2-7H2,1H3,(H,18,19)/p-1/t9-,10+,12?,13?