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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 2-phthalimidoethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c25-19-15-5-1-2-6-16(15)20(26)23(19)11-12-30-21(27)14-7-8-17(18(13-14)24(28)29)22-9-3-4-10-22/h1-2,5-8,13H,3-4,9-12H2