methyl 4-(5-ethyl-6-oxidanyl-1-oxidanylidene-imidazo[5,1-a]phthalazin-3-yl)benzoate

Systemtic Name: methyl 4-(5-ethyl-6-oxidanyl-1-oxidanylidene-imidazo[5,1-a]phthalazin-3-yl)benzoate Openeye Name: methyl 4-(5-ethyl-6-hydroxy-1-oxo-imidazo[5,1-a]phthalazin-3-yl)benzoate CAS Name: 4-(5-ethyl-6-hydroxy-1-oxo-3-imidazo[5,1-a]phthalazinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-ethyl-6-hydroxy-1-oxoimidazo[5,1-a]phthalazin-3-yl)benzoate Traditional Name: 4-(5-ethyl-6-hydroxy-1-keto-imidazo[5,1-a]phthalazin-3-yl)benzoic acid methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC=CC2=C3N1C(=NC3=O)C4=CC=C(C=C4)C(=O)OC)O

Isomeric SMILES

CCN1C(=C2C=CC=CC2=C3N1C(=NC3=O)C4=CC=C(C=C4)C(=O)OC)O

InChI

InChI=1S/C20H17N3O4/c1-3-22-19(25)15-7-5-4-6-14(15)16-18(24)21-17(23(16)22)12-8-10-13(11-9-12)20(26)27-2/h4-11,25H,3H2,1-2H3