7-bromanyl-3-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-2-one

Systemtic Name: 7-bromanyl-3-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-2-one Openeye Name: 7-bromo-3-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-2-one CAS Name: 7-bromo-3-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-2-one IUPAC Name: 7-bromo-3-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-2-one Traditional Name: 7-bromo-3-(4-nitrophenyl)-5-phenyl-4H-1,3,4-benzotriazepin-2-one Formula: C20H13BrN4O3 MolecularWeight: 437.24622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)N(N2)C4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)N(N2)C4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H13BrN4O3/c21-14-6-11-18-17(12-14)19(13-4-2-1-3-5-13)23-24(20(26)22-18)15-7-9-16(10-8-15)25(27)28/h1-12,23H