[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (3-phthalimidophenyl) ester Formula: C21H11ClN2O6 MolecularWeight: 422.77484

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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=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H11ClN2O6/c22-17-9-8-12(10-18(17)24(28)29)21(27)30-14-5-3-4-13(11-14)23-19(25)15-6-1-2-7-16(15)20(23)26/h1-11H