ethyl 4-bromanyl-7-methoxy-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 4-bromanyl-7-methoxy-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-bromo-7-methoxy-3-[[(E)-3-phenylprop-2-enoyl]amino]benzofuran-2-carboxylate CAS Name: 4-bromo-7-methoxy-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-7-methoxy-3-[[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 4-bromo-7-methoxy-3-[[(E)-3-phenylacryloyl]amino]coumarilic acid ethyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2O1)OC)Br)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2O1)OC)Br)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO5/c1-3-27-21(25)20-18(17-14(22)10-11-15(26-2)19(17)28-20)23-16(24)12-9-13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,23,24)/b12-9+