2-(2-nitroethyl)-2-phenyl-propanedioic acid

Systemtic Name: 2-(2-nitroethyl)-2-phenyl-propanedioic acid Openeye Name: 2-(2-nitroethyl)-2-phenyl-propanedioic acid CAS Name: 2-(2-nitroethyl)-2-phenylpropanedioic acid IUPAC Name: 2-(2-nitroethyl)-2-phenylpropanedioic acid Traditional Name: 2-(2-nitroethyl)-2-phenyl-malonic acid Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6/c13-9(14)11(10(15)16,6-7-12(17)18)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H,15,16)