methyl 1-(2-ethyl-1,2,3,4-tetrazol-5-yl)cyclohepta-2,4,6-triene-1-carboxylate

Systemtic Name: methyl 1-(2-ethyl-1,2,3,4-tetrazol-5-yl)cyclohepta-2,4,6-triene-1-carboxylate Openeye Name: methyl 1-(2-ethyltetrazol-5-yl)cyclohepta-2,4,6-triene-1-carboxylate CAS Name: 1-(2-ethyl-5-tetrazolyl)-1-cyclohepta-2,4,6-trienecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-ethyltetrazol-5-yl)cyclohepta-2,4,6-triene-1-carboxylate Traditional Name: 1-(2-ethyltetrazol-5-yl)cyclohepta-2,4,6-triene-1-carboxylic acid methyl ester Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2(C=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCN1N=C(N=N1)C2(C=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C12H14N4O2/c1-3-16-14-10(13-15-16)12(11(17)18-2)8-6-4-5-7-9-12/h4-9H,3H2,1-2H3