2-[4-(7-chloranyl-9-oxidanylidene-xanthen-2-yl)phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[4-(7-chloranyl-9-oxidanylidene-xanthen-2-yl)phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[4-(7-chloro-9-oxo-xanthen-2-yl)phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[4-(7-chloro-9-oxo-2-xanthenyl)phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[4-(7-chloro-9-oxoxanthen-2-yl)phenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[4-(7-chloro-9-keto-xanthen-2-yl)phenyl]-1,2,4-triazine-3,5-quinone Formula: C22H12ClN3O4 MolecularWeight: 417.80138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)Cl)N5C(=O)NC(=O)C=N5

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)Cl)N5C(=O)NC(=O)C=N5

InChI

InChI=1S/C22H12ClN3O4/c23-14-4-8-19-17(10-14)21(28)16-9-13(3-7-18(16)30-19)12-1-5-15(6-2-12)26-22(29)25-20(27)11-24-26/h1-11H,(H,25,27,29)