N-[8-nitro-1,3-bis(oxidanylidene)-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinolin-5-yl]ethanamide

Systemtic Name: N-[8-nitro-1,3-bis(oxidanylidene)-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinolin-5-yl]ethanamide Openeye Name: N-[8-nitro-1,3-dioxo-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinolin-5-yl]acetamide CAS Name: N-[8-nitro-1,3-dioxo-2-[2-(1-pyrrolidinyl)ethyl]-5-benzo[de]isoquinolinyl]acetamide IUPAC Name: N-[8-nitro-1,3-dioxo-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinolin-5-yl]acetamide Traditional Name: N-[1,3-diketo-8-nitro-2-(2-pyrrolidinoethyl)benzo[de]isoquinolin-5-yl]acetamide Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C3C(=C1)C=C(C=C3C(=O)N(C2=O)CCN4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C3C(=C1)C=C(C=C3C(=O)N(C2=O)CCN4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-12(25)21-14-8-13-9-15(24(28)29)11-17-18(13)16(10-14)19(26)23(20(17)27)7-6-22-4-2-3-5-22/h8-11H,2-7H2,1H3,(H,21,25)