2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H19ClN6O5 MolecularWeight: 494.88716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H19ClN6O5/c24-20-19(13-25-29(23(20)33)15-4-2-1-3-5-15)27-10-8-26(9-11-27)14-28-21(31)17-7-6-16(30(34)35)12-18(17)22(28)32/h1-7,12-13H,8-11,14H2