(3R)-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]phthalide Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C[C@@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H19N3O5/c24-19(13-18-16-3-1-2-4-17(16)20(25)28-18)22-11-9-21(10-12-22)14-5-7-15(8-6-14)23(26)27/h1-8,18H,9-13H2/t18-/m1/s1