(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H16ClN3O4/c1-12-17(22-23(21-12)16-5-3-2-4-6-16)19(24)26-10-14-8-15(20)7-13-9-25-11-27-18(13)14/h2-8H,9-11H2,1H3