2-[2-nitro-1-(3-nitrophenyl)-2-phenyl-ethyl]propanedioic acid

Systemtic Name: 2-[2-nitro-1-(3-nitrophenyl)-2-phenyl-ethyl]propanedioic acid Openeye Name: 2-[2-nitro-1-(3-nitrophenyl)-2-phenyl-ethyl]propanedioic acid CAS Name: 2-[2-nitro-1-(3-nitrophenyl)-2-phenylethyl]propanedioic acid IUPAC Name: 2-[2-nitro-1-(3-nitrophenyl)-2-phenylethyl]propanedioic acid Traditional Name: 2-[2-nitro-1-(3-nitrophenyl)-2-phenyl-ethyl]malonic acid Formula: C17H14N2O8 MolecularWeight: 374.30166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O8/c20-16(21)14(17(22)23)13(11-7-4-8-12(9-11)18(24)25)15(19(26)27)10-5-2-1-3-6-10/h1-9,13-15H,(H,20,21)(H,22,23)