3-cyanopropyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: 3-cyanopropyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid 3-cyanopropyl ester Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCCCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1C(=O)OCCCC#N)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4O2/c1-11-13(14(19)20-10-6-5-9-15)17-18(16-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,10H2,1H3