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

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-nitrobenzoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C21H13BrN4O4 MolecularWeight: 465.25632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H13BrN4O4/c22-14-6-9-19-18(10-14)20(24-12-23-19)25-15-2-1-3-17(11-15)30-21(27)13-4-7-16(8-5-13)26(28)29/h1-12H,(H,23,24,25)