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

Systemtic Name: phenacyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: phenacyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid phenacyl ester IUPAC Name: phenacyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-phenyl-propionic acid phenacyl ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N2O7/c28-21(17-10-5-2-6-11-17)15-34-25(31)20(14-16-8-3-1-4-9-16)26-23(29)18-12-7-13-19(27(32)33)22(18)24(26)30/h1-13,20H,14-15H2