3-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]propanoic acid Openeye Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]propanoic acid CAS Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]propanoic acid IUPAC Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]propanoic acid Traditional Name: 2-(4-nitrobenzyl)-3-(4-nitrophenyl)propionic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c19-16(20)13(9-11-1-5-14(6-2-11)17(21)22)10-12-3-7-15(8-4-12)18(23)24/h1-8,13H,9-10H2,(H,19,20)