3-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-phthalazin-2-yl]benzoate

Systemtic Name: 3-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-phthalazin-2-yl]benzoate Openeye Name: 3-[4-(3,4-diethoxyphenyl)-1-oxo-phthalazin-2-yl]benzoate CAS Name: 3-[4-(3,4-diethoxyphenyl)-1-oxo-2-phthalazinyl]benzoate IUPAC Name: 3-[4-(3,4-diethoxyphenyl)-1-oxophthalazin-2-yl]benzoate Traditional Name: 3-[4-(3,4-diethoxyphenyl)-1-keto-phthalazin-2-yl]benzoate Formula: C25H21N2O5- MolecularWeight: 429.44464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(=O)[O-])OCC

InChI

InChI=1S/C25H22N2O5/c1-3-31-21-13-12-16(15-22(21)32-4-2)23-19-10-5-6-11-20(19)24(28)27(26-23)18-9-7-8-17(14-18)25(29)30/h5-15H,3-4H2,1-2H3,(H,29,30)/p-1