(7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C18H14ClN3O4/c1-11-16(21-22(20-11)13-5-3-2-4-6-13)18(23)24-9-12-7-14(19)17-15(8-12)25-10-26-17/h2-8H,9-10H2,1H3