(4-azanylquinazolin-2-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)Cl

InChI

InChI=1S/C17H12ClN3O4/c18-11-5-9(6-13-15(11)25-8-24-13)17(22)23-7-14-20-12-4-2-1-3-10(12)16(19)21-14/h1-6H,7-8H2,(H2,19,20,21)