2-[3-(2,4-dichlorophenyl)carbonyl-2-nitro-phenyl]propanedioic acid

Systemtic Name: 2-[3-(2,4-dichlorophenyl)carbonyl-2-nitro-phenyl]propanedioic acid Openeye Name: 2-[3-(2,4-dichlorobenzoyl)-2-nitro-phenyl]propanedioic acid CAS Name: 2-[3-[(2,4-dichlorophenyl)-oxomethyl]-2-nitrophenyl]propanedioic acid IUPAC Name: 2-[3-(2,4-dichlorobenzoyl)-2-nitrophenyl]propanedioic acid Traditional Name: 2-[3-(2,4-dichlorobenzoyl)-2-nitro-phenyl]malonic acid Formula: C16H9Cl2NO7 MolecularWeight: 398.15116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(C(=O)O)C(=O)O)[N+](=O)[O-])C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)C(C(=O)O)C(=O)O)[N+](=O)[O-])C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H9Cl2NO7/c17-7-4-5-8(11(18)6-7)14(20)10-3-1-2-9(13(10)19(25)26)12(15(21)22)16(23)24/h1-6,12H,(H,21,22)(H,23,24)