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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C18H14ClN3O4/c19-12-7-10(8-14-16(12)25-6-5-24-14)18(23)26-9-15-21-13-4-2-1-3-11(13)17(20)22-15/h1-4,7-8H,5-6,9H2,(H2,20,21,22)