3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-pyrazolidin-3-ylidene]-1-ethyl-quinoline-2,4-dione

Systemtic Name: 3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-pyrazolidin-3-ylidene]-1-ethyl-quinoline-2,4-dione Openeye Name: 3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-pyrazolidin-3-ylidene]-1-ethyl-quinoline-2,4-dione CAS Name: 3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-3-pyrazolidinylidene]-1-ethylquinoline-2,4-dione IUPAC Name: 3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxopyrazolidin-3-ylidene]-1-ethylquinoline-2,4-dione Traditional Name: 1-ethyl-3-[(4Z)-5-keto-4-piperonylidene-pyrazolidin-3-ylidene]quinoline-2,4-quinone Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=O)C(=C3C(=CC4=CC5=C(C=C4)OCO5)C(=O)NN3)C1=O

Isomeric SMILES

CCN1C2=CC=CC=C2C(=O)C(=C3/C(=C/C4=CC5=C(C=C4)OCO5)/C(=O)NN3)C1=O

InChI

InChI=1S/C22H17N3O5/c1-2-25-15-6-4-3-5-13(15)20(26)18(22(25)28)19-14(21(27)24-23-19)9-12-7-8-16-17(10-12)30-11-29-16/h3-10,23H,2,11H2,1H3,(H,24,27)/b14-9-,19-18?