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

Systemtic Name: [2-[(E)-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(E)-(2-ethyl-4-oxo-quinazolin-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(E)-(2-ethyl-4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-[(E)-(2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(E)-(2-ethyl-4-keto-quinazolin-3-yl)iminomethyl]phenyl] ester Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=CC=C3OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC=CC=C3OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19N3O5/c1-2-23-27-19-9-5-4-8-18(19)24(29)28(23)26-14-17-7-3-6-10-20(17)33-25(30)16-11-12-21-22(13-16)32-15-31-21/h3-14H,2,15H2,1H3/b26-14+