1-[(E)-3,3-dimethylbut-1-enyl]-5-phenyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[(E)-3,3-dimethylbut-1-enyl]-5-phenyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[(E)-3,3-dimethylbut-1-enyl]-5-phenyl-triazole-4-carboxylic acid CAS Name: 1-[(E)-3,3-dimethylbut-1-enyl]-5-phenyl-4-triazolecarboxylic acid IUPAC Name: 1-[(E)-3,3-dimethylbut-1-enyl]-5-phenyltriazole-4-carboxylic acid Traditional Name: 1-[(E)-3,3-dimethylbut-1-enyl]-5-phenyl-triazole-4-carboxylic acid Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CN1C(=C(N=N1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)/C=C/N1C(=C(N=N1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O2/c1-15(2,3)9-10-18-13(11-7-5-4-6-8-11)12(14(19)20)16-17-18/h4-10H,1-3H3,(H,19,20)/b10-9+