2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-4H-isoquinoline-1,3-quinone Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N4O5/c26-19-13-15-3-1-2-4-18(15)21(28)24(19)14-20(27)23-11-9-22(10-12-23)16-5-7-17(8-6-16)25(29)30/h1-8H,9-14H2