(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (1-propyltetrazol-5-yl)methyl ester Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C15H15BrN4O3/c1-3-6-20-13(17-18-19-20)8-22-15(21)14-9(2)11-7-10(16)4-5-12(11)23-14/h4-5,7H,3,6,8H2,1-2H3