2-(2-dimethylaminoethyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2-dimethylaminoethyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-dimethylaminoethyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-dimethylaminoethyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-dimethylaminoethyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-dimethylaminoethyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]benzo[de]isoquinoline-1,3-quinone Formula: C24H22N4O6 MolecularWeight: 462.45468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)NCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)NCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C24H22N4O6/c1-26(2)6-7-27-23(29)17-5-3-4-14-8-16(10-18(22(14)17)24(27)30)25-12-15-9-20-21(34-13-33-20)11-19(15)28(31)32/h3-5,8-11,25H,6-7,12-13H2,1-2H3