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

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 1-benzoylpropyl 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid 1-benzoylpropyl ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O7/c1-2-20(22(28)15-8-4-3-5-9-15)34-25(31)16-10-6-11-17(14-16)26-23(29)18-12-7-13-19(27(32)33)21(18)24(26)30/h3-14,20H,2H2,1H3