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

Systemtic Name: [2-[(2-methyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(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-[(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-[(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(4-keto-2-methyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester Formula: C24H18N3O5+ MolecularWeight: 428.41682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC=CC=C3OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC=CC=C3OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18N3O5/c1-15-26-19-8-4-3-7-18(19)23(28)27(15)25-13-17-6-2-5-9-20(17)32-24(29)16-10-11-21-22(12-16)31-14-30-21/h2-13,18H,14H2,1H3/q+1