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

Systemtic Name: ethyl 4-bromanyl-7-methoxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-bromo-7-methoxy-3-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]benzofuran-2-carboxylate CAS Name: 4-bromo-7-methoxy-3-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-7-methoxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 4-bromo-7-methoxy-3-[[(E)-3-(3-pyridyl)acryloyl]amino]coumarilic acid ethyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O5/c1-3-27-20(25)19-17(16-13(21)7-8-14(26-2)18(16)28-19)23-15(24)9-6-12-5-4-10-22-11-12/h4-11H,3H2,1-2H3,(H,23,24)/b9-6+