3-[[4-(4-bromophenyl)phenyl]-pyridin-2-yl-methyl]chromene-2,4-dione

Systemtic Name: 3-[[4-(4-bromophenyl)phenyl]-pyridin-2-yl-methyl]chromene-2,4-dione Openeye Name: 3-[[4-(4-bromophenyl)phenyl]-(2-pyridyl)methyl]chromane-2,4-dione CAS Name: 3-[[4-(4-bromophenyl)phenyl]-(2-pyridinyl)methyl]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-[[4-(4-bromophenyl)phenyl]-pyridin-2-ylmethyl]chromene-2,4-dione Traditional Name: 3-[[4-(4-bromophenyl)phenyl]-(2-pyridyl)methyl]chroman-2,4-quinone Formula: C27H18BrNO3 MolecularWeight: 484.34072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(=O)O2)C(C3=CC=C(C=C3)C4=CC=C(C=C4)Br)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C(=O)O2)C(C3=CC=C(C=C3)C4=CC=C(C=C4)Br)C5=CC=CC=N5

InChI

InChI=1S/C27H18BrNO3/c28-20-14-12-18(13-15-20)17-8-10-19(11-9-17)24(22-6-3-4-16-29-22)25-26(30)21-5-1-2-7-23(21)32-27(25)31/h1-16,24-25H