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

Systemtic Name: (3Z)-3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-pyrazolidin-3-ylidene]-1-methyl-quinoline-2,4-dione Openeye Name: (3Z)-3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-pyrazolidin-3-ylidene]-1-methyl-quinoline-2,4-dione CAS Name: (3Z)-3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-3-pyrazolidinylidene]-1-methylquinoline-2,4-dione IUPAC Name: (3Z)-3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxopyrazolidin-3-ylidene]-1-methylquinoline-2,4-dione Traditional Name: (3Z)-3-[(4Z)-5-keto-4-piperonylidene-pyrazolidin-3-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3C(=CC4=CC5=C(C=C4)OCO5)C(=O)NN3)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)/C(=C/3\C(=C\C4=CC5=C(C=C4)OCO5)\C(=O)NN3)/C1=O

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/h2-9,22H,10H2,1H3,(H,23,26)/b13-8-,18-17-