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

Systemtic Name: 7-bromanyl-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(4-nitrophenyl)-2-phenyl-4H-1,3,4-benzotriazepine Formula: C20H13BrN4O2 MolecularWeight: 421.24682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN4O2/c21-15-8-11-18-17(12-15)19(13-6-9-16(10-7-13)25(26)27)23-24-20(22-18)14-4-2-1-3-5-14/h1-12,23H