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

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 2-nitrobenzoate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-phthalimidophenyl) ester Formula: C21H12N2O6 MolecularWeight: 388.32978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12N2O6/c24-19-15-5-1-2-6-16(15)20(25)22(19)13-9-11-14(12-10-13)29-21(26)17-7-3-4-8-18(17)23(27)28/h1-12H