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

Systemtic Name: 4-nitro-2-(6-oxidanylidene-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate Openeye Name: 4-nitro-2-(6-oxo-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate CAS Name: 4-nitro-2-(6-oxo-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate IUPAC Name: 4-nitro-2-(6-oxo-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)phenolate Traditional Name: 2-(6-keto-2,4-diphenyl-1,2,4,5-tetrazinan-3-yl)-4-nitro-phenolate Formula: C20H16N5O4- MolecularWeight: 390.37214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4/c26-18-12-11-16(25(28)29)13-17(18)19-23(14-7-3-1-4-8-14)21-20(27)22-24(19)15-9-5-2-6-10-15/h1-13,19,26H,(H2,21,22,27)/p-1