[2-[(Z)-(5-bromanyl-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-[(Z)-(5-bromanyl-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [2-[(Z)-(5-bromo-3-oxo-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(Z)-(5-bromo-3-oxo-2-benzofuranylidene)methyl]phenyl] ester IUPAC Name: [2-[(Z)-(5-bromo-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(Z)-(5-bromo-3-keto-coumaran-2-ylidene)methyl]phenyl] ester Formula: C23H15BrO4 MolecularWeight: 435.2668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C3C(=O)C4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C23H15BrO4/c1-14-6-8-15(9-7-14)23(26)28-19-5-3-2-4-16(19)12-21-22(25)18-13-17(24)10-11-20(18)27-21/h2-13H,1H3/b21-12-