2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; palladium(2+); tetrachloride

Systemtic Name: 2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; palladium(2+); tetrachloride Openeye Name: 2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; palladium(2+); tetrachloride CAS Name: 2-(2-dimethylaminoethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione; palladium(2+); tetrachloride IUPAC Name: 2-(2-dimethylaminoethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione; palladium(2+); tetrachloride Traditional Name: 2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone; palladium(2+); tetrachloride Formula: C32H30Cl4N6O8Pd2 MolecularWeight: 981.268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-].CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Pd+2].[Pd+2]

Isomeric SMILES

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-].CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Pd+2].[Pd+2]

InChI

InChI=1S/2C16H15N3O4.4ClH.2Pd/c2*1-17(2)6-7-18-15(20)12-5-3-4-10-8-11(19(22)23)9-13(14(10)12)16(18)21;;;;;;/h2*3-5,8-9H,6-7H2,1-2H3;4*1H;;/q;;;;;;2*+2/p-4