1H-Isoindole-1,3(2H)-dione,2-ethyl-4-nitro- (2778-84-9)

The N-Ethyl-3-nitrophthalimide, with CAS registry number 2778-84-9, has the systematic name of 2-ethyl-4-nitro-1H-isoindole-1,3(2H)-dione. And its IUPAC name is 2-ethyl-4-nitroisoindole-1,3-dione. Besides this, it is also called 1H-isoindole-1,3(2H)-dione, 2-ethyl-4-nitro-.

Physical properties about this chemical are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 83.2 Å²; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 53.51 cm³; (9)Molar Volume: 151.9 cm³; (10)Polarizability: 21.21×10^-24cm³; (11)Surface Tension: 61.8 dyne/cm; (12)Enthalpy of Vaporization: 62.92 kJ/mol; (13)Vapour Pressure: 5.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1C(=O)N(C2=O)CC
(2)InChI: InChI=1/C10H8N2O4/c1-2-11-9(13)6-4-3-5-7(12(15)16)8(6)10(11)14/h3-5H,2H2,1H3
(3)InChIKey: OFJQZKXNQMOMHY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H8N2O4/c1-2-11-9(13)6-4-3-5-7(12(15)16)8(6)10(11)14/h3-5H,2H2,1H3
(5)Std. InChIKey: OFJQZKXNQMOMHY-UHFFFAOYSA-N