3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]phthalazin-1-olate Formula: C20H18N5O5- MolecularWeight: 408.38742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H19N5O5/c26-18(13-24-20(28)17-4-2-1-3-16(17)19(27)21-24)23-11-9-22(10-12-23)14-5-7-15(8-6-14)25(29)30/h1-8H,9-13H2,(H,21,27)/p-1