2-bromanyl-4-nitro-6-(6-oxidanylidene-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate

Systemtic Name: 2-bromanyl-4-nitro-6-(6-oxidanylidene-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate Openeye Name: 2-bromo-4-nitro-6-(6-oxo-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate CAS Name: 2-bromo-4-nitro-6-(6-oxo-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate IUPAC Name: 2-bromo-4-nitro-6-(6-oxo-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate Traditional Name: 2-bromo-6-(6-keto-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)-4-nitro-phenolate Formula: C20H15BrN5O4- MolecularWeight: 469.2682

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(=C4[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(N(NC(=O)N2)C3=CC=CC=C3)C4=CC(=CC(=C4[O-])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)/p-1