[4-[(3-chlorophenyl)amino]quinazolin-6-yl]oxymethylboronic acid

Systemtic Name: [4-[(3-chlorophenyl)amino]quinazolin-6-yl]oxymethylboronic acid Openeye Name: [4-(3-chloroanilino)quinazolin-6-yl]oxymethylboronic acid CAS Name: [4-(3-chloroanilino)-6-quinazolinyl]oxymethylboronic acid IUPAC Name: [4-(3-chloroanilino)quinazolin-6-yl]oxymethylboronic acid Traditional Name: [4-(3-chloroanilino)quinazolin-6-yl]oxymethylboronic acid Formula: C15H13BClN3O3 MolecularWeight: 329.54602

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Descriptors Computed from Structure

Canonical SMILES:

B(COC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Cl)(O)O

Isomeric SMILES

B(COC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Cl)(O)O

InChI

InChI=1S/C15H13BClN3O3/c17-10-2-1-3-11(6-10)20-15-13-7-12(23-8-16(21)22)4-5-14(13)18-9-19-15/h1-7,9,21-22H,8H2,(H,18,19,20)