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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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