(6-bromanyl-1,3-benzodioxol-5-yl)methyl 5-azanyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 5-azanyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 5-amino-2-phenyl-triazole-4-carboxylate CAS Name: 5-amino-2-phenyl-4-triazolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 5-amino-2-phenyltriazole-4-carboxylate Traditional Name: 5-amino-2-phenyl-triazole-4-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=NN(N=C3N)C4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=NN(N=C3N)C4=CC=CC=C4)Br

InChI

InChI=1S/C17H13BrN4O4/c18-12-7-14-13(25-9-26-14)6-10(12)8-24-17(23)15-16(19)21-22(20-15)11-4-2-1-3-5-11/h1-7H,8-9H2,(H2,19,21)