phenyl 2,3,3a,7a-tetrahydro-1H-benzotriazole-5-carboxylate

Systemtic Name: phenyl 2,3,3a,7a-tetrahydro-1H-benzotriazole-5-carboxylate Openeye Name: phenyl 2,3,3a,7a-tetrahydro-1H-benzotriazole-5-carboxylate CAS Name: 2,3,3a,7a-tetrahydro-1H-benzotriazole-5-carboxylic acid phenyl ester IUPAC Name: phenyl 2,3,3a,7a-tetrahydro-1H-benzotriazole-5-carboxylate Traditional Name: 2,3,3a,7a-tetrahydro-1H-benzotriazole-5-carboxylic acid phenyl ester Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC3C(C=C2)NNN3

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC3C(C=C2)NNN3

InChI

InChI=1S/C13H13N3O2/c17-13(18-10-4-2-1-3-5-10)9-6-7-11-12(8-9)15-16-14-11/h1-8,11-12,14-16H