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

Systemtic Name: [2-methoxy-4-[(E)-(2-methyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-methoxy-4-[(E)-(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-methoxy-4-[(E)-(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-(4-keto-2-methyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C25H20N3O6+ MolecularWeight: 458.4428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC(=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CC1=[N+](C(=O)C2C=CC=CC2=N1)/N=C/C3=CC(=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H20N3O6/c1-15-27-19-6-4-3-5-18(19)24(29)28(15)26-13-16-7-9-21(22(11-16)31-2)34-25(30)17-8-10-20-23(12-17)33-14-32-20/h3-13,18H,14H2,1-2H3/q+1/b26-13+