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

Systemtic Name: 2-[3-(4-chlorophenyl)carbonyl-2-nitro-phenyl]propanedioic acid Openeye Name: 2-[3-(4-chlorobenzoyl)-2-nitro-phenyl]propanedioic acid CAS Name: 2-[3-[(4-chlorophenyl)-oxomethyl]-2-nitrophenyl]propanedioic acid IUPAC Name: 2-[3-(4-chlorobenzoyl)-2-nitrophenyl]propanedioic acid Traditional Name: 2-[3-(4-chlorobenzoyl)-2-nitro-phenyl]malonic acid Formula: C16H10ClNO7 MolecularWeight: 363.7061

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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=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClNO7/c17-9-6-4-8(5-7-9)14(19)11-3-1-2-10(13(11)18(24)25)12(15(20)21)16(22)23/h1-7,12H,(H,20,21)(H,22,23)