2-[1-(4-methoxyphenyl)-2-(2-nitrophenyl)ethyl]-2-prop-2-enyl-propanedioic acid

Systemtic Name: 2-[1-(4-methoxyphenyl)-2-(2-nitrophenyl)ethyl]-2-prop-2-enyl-propanedioic acid Openeye Name: 2-allyl-2-[1-(4-methoxyphenyl)-2-(2-nitrophenyl)ethyl]propanedioic acid CAS Name: 2-[1-(4-methoxyphenyl)-2-(2-nitrophenyl)ethyl]-2-prop-2-enylpropanedioic acid IUPAC Name: 2-[1-(4-methoxyphenyl)-2-(2-nitrophenyl)ethyl]-2-prop-2-enylpropanedioic acid Traditional Name: 2-allyl-2-[1-(4-methoxyphenyl)-2-(2-nitrophenyl)ethyl]malonic acid Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=CC=C2[N+](=O)[O-])C(CC=C)(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CC=CC=C2[N+](=O)[O-])C(CC=C)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H21NO7/c1-3-12-21(19(23)24,20(25)26)17(14-8-10-16(29-2)11-9-14)13-15-6-4-5-7-18(15)22(27)28/h3-11,17H,1,12-13H2,2H3,(H,23,24)(H,25,26)