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

Systemtic Name: ethyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]acetate CAS Name: 2-[[[3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate Traditional Name: 2-[[3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carbonyl]amino]acetic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H21N3O6/c1-4-30-18(25)12-22-20(26)19-16-7-5-6-8-17(16)21(27)24(23-19)13-9-14(28-2)11-15(10-13)29-3/h5-11H,4,12H2,1-3H3,(H,22,26)