[2-[[2-(furan-2-yl)-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[2-(furan-2-yl)-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[2-(2-furyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[[2-(2-furanyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] ester IUPAC Name: [2-[[2-(furan-2-yl)-4-oxo-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[[2-(2-furyl)-4-keto-4aH-quinazolin-3-ium-3-yl]iminomethyl]phenyl] ester Formula: C27H18N3O6+ MolecularWeight: 480.44832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=N[N+]4=C(N=C5C=CC=CC5C4=O)C6=CC=CO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=N[N+]4=C(N=C5C=CC=CC5C4=O)C6=CC=CO6

InChI

InChI=1S/C27H18N3O6/c31-26-19-7-2-3-8-20(19)29-25(23-10-5-13-33-23)30(26)28-15-18-6-1-4-9-21(18)36-27(32)17-11-12-22-24(14-17)35-16-34-22/h1-15,19H,16H2/q+1