[3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 3,5-dinitrobenzoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C21H12BrN5O6 MolecularWeight: 510.25388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrN5O6/c22-13-4-5-19-18(8-13)20(24-11-23-19)25-14-2-1-3-17(9-14)33-21(28)12-6-15(26(29)30)10-16(7-12)27(31)32/h1-11H,(H,23,24,25)