(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 7-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-chloro-3-methyl-2-benzofurancarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-3-methyl-coumarilic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(C3=C(O2)C(=CC=C3)Cl)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(C3=C(O2)C(=CC=C3)Cl)C

InChI

InChI=1S/C16H17ClN4O3/c1-3-4-8-21-13(18-19-20-21)9-23-16(22)14-10(2)11-6-5-7-12(17)15(11)24-14/h5-7H,3-4,8-9H2,1-2H3