2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H19N3O7 MolecularWeight: 437.40216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H19N3O7/c26-19(12-24-21(27)14-3-1-4-16(25(29)30)20(14)22(24)28)23-8-2-5-15(23)13-6-7-17-18(11-13)32-10-9-31-17/h1,3-4,6-7,11,15H,2,5,8-10,12H2