(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzoate CAS Name: 2-(4,5-dichloro-6-oxo-1-pyridazinyl)benzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate Traditional Name: 2-(4,5-dichloro-6-keto-pyridazin-1-yl)benzoic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H14Cl2N4O4 MolecularWeight: 457.26626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=CC=C3N4C(=O)C(=C(C=N4)Cl)Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=CC=C3N4C(=O)C(=C(C=N4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N4O4/c1-11-5-4-7-13-18(11)25-16(26-19(13)28)10-31-21(30)12-6-2-3-8-15(12)27-20(29)17(23)14(22)9-24-27/h2-9H,10H2,1H3,(H,25,26,28)