3-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[4-(6-nitro-3-pyridyl)piperazino]ethyl]-2H-phthalazine-1,4-quinone Formula: C19H18N6O5 MolecularWeight: 410.38342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O5/c26-17(12-24-19(28)15-4-2-1-3-14(15)18(27)21-24)23-9-7-22(8-10-23)13-5-6-16(20-11-13)25(29)30/h1-6,11H,7-10,12H2,(H,21,27)