(3,4-dichlorophenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (3,4-dichlorophenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (3,4-dichlorophenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (3,4-dichlorophenyl) ester IUPAC Name: (3,4-dichlorophenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (3,4-dichlorophenyl) ester Formula: C17H10Cl2N2O6 MolecularWeight: 409.1771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H10Cl2N2O6/c18-11-5-4-9(8-12(11)19)27-14(22)6-7-20-16(23)10-2-1-3-13(21(25)26)15(10)17(20)24/h1-5,8H,6-7H2