methyl 1-(cyclohexa-1,3-dien-1-ylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(cyclohexa-1,3-dien-1-ylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(cyclohexa-1,3-dien-1-ylmethyl)triazole-4-carboxylate CAS Name: 1-(1-cyclohexa-1,3-dienylmethyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyclohexa-1,3-dien-1-ylmethyl)triazole-4-carboxylate Traditional Name: 1-(cyclohexa-1,3-dien-1-ylmethyl)triazole-4-carboxylic acid methyl ester Formula: C11H13N3O2 MolecularWeight: 219.23982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=N1)CC2=CC=CCC2

Isomeric SMILES

COC(=O)C1=CN(N=N1)CC2=CC=CCC2

InChI

InChI=1S/C11H13N3O2/c1-16-11(15)10-8-14(13-12-10)7-9-5-3-2-4-6-9/h2-3,5,8H,4,6-7H2,1H3