(2-cyanophenyl)methyl 5-azanyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 5-azanyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 5-amino-2-phenyl-triazole-4-carboxylate CAS Name: 5-amino-2-phenyl-4-triazolecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 5-amino-2-phenyltriazole-4-carboxylate Traditional Name: 5-amino-2-phenyl-triazole-4-carboxylic acid (2-cyanobenzyl) ester Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C(C(=N2)N)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)N2N=C(C(=N2)N)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H13N5O2/c18-10-12-6-4-5-7-13(12)11-24-17(23)15-16(19)21-22(20-15)14-8-2-1-3-9-14/h1-9H,11H2,(H2,19,21)