ethyl 4-bromanyl-7-isocyanato-2-methyl-3H-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 4-bromanyl-7-isocyanato-2-methyl-3H-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-bromo-7-isocyanato-2-methyl-3H-benzofuran-2-carboxylate CAS Name: 4-bromo-7-isocyanato-2-methyl-3H-benzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-7-isocyanato-2-methyl-3H-1-benzofuran-2-carboxylate Traditional Name: 4-bromo-7-isocyanato-2-methyl-coumaran-2-carboxylic acid ethyl ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C=CC(=C2O1)N=C=O)Br)C

Isomeric SMILES

CCOC(=O)C1(CC2=C(C=CC(=C2O1)N=C=O)Br)C

InChI

InChI=1S/C13H12BrNO4/c1-3-18-12(17)13(2)6-8-9(14)4-5-10(15-7-16)11(8)19-13/h4-5H,3,6H2,1-2H3