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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-phthalimidoethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c26-20-16-6-2-3-7-17(16)21(27)24(20)12-13-31-22(28)15-8-9-18(19(14-15)25(29)30)23-10-4-1-5-11-23/h2-3,6-9,14H,1,4-5,10-13H2