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

Systemtic Name: [2-[(4-oxidanylidene-2-phenyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(4-oxo-2-phenyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(4-oxo-2-phenyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-[(4-oxo-2-phenyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(4-keto-2-phenyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester Formula: C29H20N3O5+ MolecularWeight: 490.4862

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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=CC=C6

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=CC=C6

InChI

InChI=1S/C29H20N3O5/c33-28-22-11-5-6-12-23(22)31-27(19-8-2-1-3-9-19)32(28)30-17-21-10-4-7-13-24(21)37-29(34)20-14-15-25-26(16-20)36-18-35-25/h1-17,22H,18H2/q+1