(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-(1,3-benzodioxol-5-ylmethylene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-9-keto-3-piperonylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C20H13N2O5- MolecularWeight: 361.32762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])C1=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])/C1=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H14N2O5/c23-19-14-3-2-13(20(24)25)9-15(14)21-18-12(5-6-22(18)19)7-11-1-4-16-17(8-11)27-10-26-16/h1-4,7-9H,5-6,10H2,(H,24,25)/p-1/b12-7+