[3-[(6-bromanylquinazolin-4-yl)amino]phenyl] benzoate

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] benzoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] benzoate CAS Name: benzoic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] benzoate Traditional Name: benzoic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C21H14BrN3O2 MolecularWeight: 420.25876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O2/c22-15-9-10-19-18(11-15)20(24-13-23-19)25-16-7-4-8-17(12-16)27-21(26)14-5-2-1-3-6-14/h1-13H,(H,23,24,25)