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

Systemtic Name: [2-ethoxy-4-[(2-methyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-ethoxy-4-[(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-ethoxy-4-[(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-ethoxy-4-[(4-keto-2-methyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester Formula: C26H22N3O6+ MolecularWeight: 472.46938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=N[N+]2=C(N=C3C=CC=CC3C2=O)C)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=N[N+]2=C(N=C3C=CC=CC3C2=O)C)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22N3O6/c1-3-32-23-12-17(14-27-29-16(2)28-20-7-5-4-6-19(20)25(29)30)8-10-22(23)35-26(31)18-9-11-21-24(13-18)34-15-33-21/h4-14,19H,3,15H2,1-2H3/q+1