6-(3-bromanyl-5-nitro-2-oxidanyl-phenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one

Systemtic Name: 6-(3-bromanyl-5-nitro-2-oxidanyl-phenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one Openeye Name: 6-(3-bromo-2-hydroxy-5-nitro-phenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one CAS Name: 6-(3-bromo-2-hydroxy-5-nitrophenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one IUPAC Name: 6-(3-bromo-2-hydroxy-5-nitrophenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one Traditional Name: 6-(3-bromo-2-hydroxy-5-nitro-phenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one Formula: C20H16BrN5O4 MolecularWeight: 470.27614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(N(NC(=O)N2)C3=CC=CC=C3)C4=CC(=CC(=C4O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(N(NC(=O)N2)C3=CC=CC=C3)C4=CC(=CC(=C4O)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN5O4/c21-17-12-15(26(29)30)11-16(18(17)27)19-24(13-7-3-1-4-8-13)22-20(28)23-25(19)14-9-5-2-6-10-14/h1-12,19,27H,(H2,22,23,28)