(phenylmethyl) 2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-(1,3-benzodioxol-5-yl)-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-6-oxo-1-pyridazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-6-keto-pyridazin-1-yl]acetic acid benzyl ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H16N2O5/c23-19-9-7-16(15-6-8-17-18(10-15)27-13-26-17)21-22(19)11-20(24)25-12-14-4-2-1-3-5-14/h1-10H,11-13H2