[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 2-chloranylbenzoate

Systemtic Name: [4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 2-chloranylbenzoate Openeye Name: [4-(5-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-(5-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-(1,3-diketo-5-nitro-isoindolin-2-yl)phenyl] ester Formula: C21H11ClN2O6 MolecularWeight: 422.77484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])Cl

InChI

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