methyl 4-[[6-(furan-2-ylcarbonylamino)-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-(furan-2-ylcarbonylamino)-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[6-(furan-2-carbonylamino)-4-oxo-3H-phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[6-[[2-furanyl(oxo)methyl]amino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(furan-2-carbonylamino)-4-oxo-3H-phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[[6-(2-furoylamino)-4-keto-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H17N3O5/c1-29-22(28)14-6-4-13(5-7-14)11-18-16-9-8-15(12-17(16)20(26)25-24-18)23-21(27)19-3-2-10-30-19/h2-10,12H,11H2,1H3,(H,23,27)(H,25,26)