[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 2,4-dinitrobenzoate

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 2,4-dinitrobenzoate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid (4-phthalimidophenyl) ester Formula: C21H11N3O8 MolecularWeight: 433.32734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

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