3-[[4-(4-bromophenyl)phenyl]-(5-chloranylpyrimidin-2-yl)methyl]chromene-2,4-dione

Systemtic Name: 3-[[4-(4-bromophenyl)phenyl]-(5-chloranylpyrimidin-2-yl)methyl]chromene-2,4-dione Openeye Name: 3-[[4-(4-bromophenyl)phenyl]-(5-chloropyrimidin-2-yl)methyl]chromane-2,4-dione CAS Name: 3-[[4-(4-bromophenyl)phenyl]-(5-chloro-2-pyrimidinyl)methyl]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-[[4-(4-bromophenyl)phenyl]-(5-chloropyrimidin-2-yl)methyl]chromene-2,4-dione Traditional Name: 3-[[4-(4-bromophenyl)phenyl]-(5-chloropyrimidin-2-yl)methyl]chroman-2,4-quinone Formula: C26H16BrClN2O3 MolecularWeight: 519.77384

Click to see the large picture

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=NC=C(C=N5)Cl

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=NC=C(C=N5)Cl

InChI

InChI=1S/C26H16BrClN2O3/c27-18-11-9-16(10-12-18)15-5-7-17(8-6-15)22(25-29-13-19(28)14-30-25)23-24(31)20-3-1-2-4-21(20)33-26(23)32/h1-14,22-23H