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

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C21H12BrClN4O4 MolecularWeight: 499.70138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrClN4O4/c22-13-5-7-18-16(9-13)20(25-11-24-18)26-14-2-1-3-15(10-14)31-21(28)12-4-6-17(23)19(8-12)27(29)30/h1-11H,(H,24,25,26)