2-[2-(2-azanylethylamino)ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione dihydrochloride

Systemtic Name: 2-[2-(2-azanylethylamino)ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione dihydrochloride Openeye Name: 2-[2-(2-aminoethylamino)ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione dihydrochloride CAS Name: 2-[2-(2-aminoethylamino)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione dihydrochloride IUPAC Name: 2-[2-(2-aminoethylamino)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione dihydrochloride Traditional Name: 2-[2-(2-aminoethylamino)ethyl]-5-nitro-benzo[de]isoquinoline-1,3-quinone dihydrochloride Formula: C16H18Cl2N4O4 MolecularWeight: 401.24452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCNCCN)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCNCCN)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C16H16N4O4.2ClH/c17-4-5-18-6-7-19-15(21)12-3-1-2-10-8-11(20(23)24)9-13(14(10)12)16(19)22;;/h1-3,8-9,18H,4-7,17H2;2*1H