methyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4C(=O)OC)OC

InChI

InChI=1S/C25H21N3O6/c1-32-16-12-15(13-17(14-16)33-2)28-24(30)19-9-5-4-8-18(19)22(27-28)23(29)26-21-11-7-6-10-20(21)25(31)34-3/h4-14H,1-3H3,(H,26,29)