3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-nitro-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-nitro-3H-2-benzofuran-1-one Openeye Name: 3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-6-nitro-3H-isobenzofuran-1-one CAS Name: 3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-nitro-3H-isobenzofuran-1-one IUPAC Name: 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-nitro-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-(4-methylpiperazino)ethyl]-6-nitro-phthalide Formula: C15H17N3O5 MolecularWeight: 319.31258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CN1CCN(CC1)C(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C15H17N3O5/c1-16-4-6-17(7-5-16)14(19)9-13-11-3-2-10(18(21)22)8-12(11)15(20)23-13/h2-3,8,13H,4-7,9H2,1H3