5-chloranyl-1-(phenylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-benzyl-5-chloro-triazole-4-carboxylate CAS Name: 5-chloro-1-(phenylmethyl)-4-triazolecarboxylate IUPAC Name: 1-benzyl-5-chlorotriazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-triazole-4-carboxylate Formula: C10H7ClN3O2- MolecularWeight: 236.63448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)[O-])Cl

InChI

InChI=1S/C10H8ClN3O2/c11-9-8(10(15)16)12-13-14(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)/p-1