1-(4-chlorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione

Systemtic Name: 1-(4-chlorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione Openeye Name: 1-(4-chlorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione CAS Name: 1-(4-chlorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione IUPAC Name: 1-(4-chlorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione Traditional Name: 1-(4-chlorophenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione Formula: C15H8ClNO6 MolecularWeight: 333.68012

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H8ClNO6/c16-9-3-1-8(2-4-9)14(18)15(19)10-5-12-13(23-7-22-12)6-11(10)17(20)21/h1-6H,7H2