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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid phthalimidomethyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6/c24-18-14-5-1-2-6-15(14)19(25)22(18)12-29-20(26)13-7-8-16(17(11-13)23(27)28)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2