[2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindol-5-yl] 4-nitrobenzoate

Systemtic Name: [2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindol-5-yl] 4-nitrobenzoate Openeye Name: [2-(3-nitrophenyl)-1,3-dioxo-isoindolin-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(3-nitrophenyl)-1,3-dioxo-5-isoindolyl] ester IUPAC Name: [2-(3-nitrophenyl)-1,3-dioxoisoindol-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1,3-diketo-2-(3-nitrophenyl)isoindolin-5-yl] ester Formula: C21H11N3O8 MolecularWeight: 433.32734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O8/c25-19-17-9-8-16(32-21(27)12-4-6-13(7-5-12)23(28)29)11-18(17)20(26)22(19)14-2-1-3-15(10-14)24(30)31/h1-11H