2-[3-chloranyl-4-[(4-ethanoylphenyl)methyl]-5-methyl-phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3-chloranyl-4-[(4-ethanoylphenyl)methyl]-5-methyl-phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[4-[(4-acetylphenyl)methyl]-3-chloro-5-methyl-phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[4-[(4-acetylphenyl)methyl]-3-chloro-5-methylphenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[4-[(4-acetylphenyl)methyl]-3-chloro-5-methylphenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[4-(4-acetylbenzyl)-3-chloro-5-methyl-phenyl]-1,2,4-triazine-3,5-quinone Formula: C19H16ClN3O3 MolecularWeight: 369.80164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC=C(C=C2)C(=O)C)Cl)N3C(=O)NC(=O)C=N3

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC=C(C=C2)C(=O)C)Cl)N3C(=O)NC(=O)C=N3

InChI

InChI=1S/C19H16ClN3O3/c1-11-7-15(23-19(26)22-18(25)10-21-23)9-17(20)16(11)8-13-3-5-14(6-4-13)12(2)24/h3-7,9-10H,8H2,1-2H3,(H,22,25,26)