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

Systemtic Name: (4-cyanophenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-cyanophenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (4-cyanophenyl) ester Formula: C18H11N3O6 MolecularWeight: 365.29644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H11N3O6/c19-10-11-4-6-12(7-5-11)27-15(22)8-9-20-17(23)13-2-1-3-14(21(25)26)16(13)18(20)24/h1-7H,8-9H2