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

Systemtic Name: 6-(5-nitro-2-oxidanyl-phenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one Openeye Name: 6-(2-hydroxy-5-nitro-phenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one CAS Name: 6-(2-hydroxy-5-nitrophenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one IUPAC Name: 6-(2-hydroxy-5-nitrophenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one Traditional Name: 6-(2-hydroxy-5-nitro-phenyl)-1,5-diphenyl-1,2,4,5-tetrazinan-3-one Formula: C20H17N5O4 MolecularWeight: 391.38008

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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)