3-nitro-5-(7-nitro-2-oxidanyl-4H-1,4-benzoxazin-3-yl)cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-nitro-5-(7-nitro-2-oxidanyl-4H-1,4-benzoxazin-3-yl)cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-(2-hydroxy-7-nitro-4H-1,4-benzoxazin-3-yl)-3-nitro-1,2-benzoquinone CAS Name: 5-(2-hydroxy-7-nitro-4H-1,4-benzoxazin-3-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-(2-hydroxy-7-nitro-4H-1,4-benzoxazin-3-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 5-(2-hydroxy-7-nitro-4H-1,4-benzoxazin-3-yl)-3-nitro-o-benzoquinone Formula: C14H7N3O8 MolecularWeight: 345.22068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])OC(=C(N2)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC(=C(N2)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C14H7N3O8/c18-10-4-6(3-9(13(10)19)17(23)24)12-14(20)25-11-5-7(16(21)22)1-2-8(11)15-12/h1-5,15,20H