2-[(2-chloranyl-4-methyl-phenyl)methyl]-4-(2-oxidanylidenepropyl)-1H-pyridazine-3,6-dione

Systemtic Name: 2-[(2-chloranyl-4-methyl-phenyl)methyl]-4-(2-oxidanylidenepropyl)-1H-pyridazine-3,6-dione Openeye Name: 4-acetonyl-2-[(2-chloro-4-methyl-phenyl)methyl]-1H-pyridazine-3,6-dione CAS Name: 2-[(2-chloro-4-methylphenyl)methyl]-4-(2-oxopropyl)-1H-pyridazine-3,6-dione IUPAC Name: 2-[(2-chloro-4-methylphenyl)methyl]-4-(2-oxopropyl)-1H-pyridazine-3,6-dione Traditional Name: 4-acetonyl-2-(2-chloro-4-methyl-benzyl)-1H-pyridazine-3,6-quinone Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=O)C(=CC(=O)N2)CC(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=O)C(=CC(=O)N2)CC(=O)C)Cl

InChI

InChI=1S/C15H15ClN2O3/c1-9-3-4-11(13(16)5-9)8-18-15(21)12(6-10(2)19)7-14(20)17-18/h3-5,7H,6,8H2,1-2H3,(H,17,20)