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

Systemtic Name: phenyl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoate Openeye Name: phenyl 2-hydroxy-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 2-hydroxy-4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid phenyl ester IUPAC Name: phenyl 2-hydroxy-4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)-2-hydroxy-benzoic acid phenyl ester Formula: C21H12N2O7 MolecularWeight: 404.32918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12N2O7/c24-17-11-12(9-10-14(17)21(27)30-13-5-2-1-3-6-13)22-19(25)15-7-4-8-16(23(28)29)18(15)20(22)26/h1-11,24H