3-[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-1H-pyrazol-3-yl]-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-1H-pyrazol-3-yl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1H-pyrazol-3-yl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-1H-pyrazol-3-yl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-1H-pyrazol-3-yl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 4-keto-3-(5-keto-4-piperonylidene-2-pyrazolin-3-yl)-1-methyl-quinolin-2-olate Formula: C21H14N3O5- MolecularWeight: 388.35296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C3=NNC(=O)C3=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C3=NNC(=O)C3=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H15N3O5/c1-24-14-5-3-2-4-12(14)19(25)17(21(24)27)18-13(20(26)23-22-18)8-11-6-7-15-16(9-11)29-10-28-15/h2-9,27H,10H2,1H3,(H,23,26)/p-1