3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-nitrophenyl)propanamide Openeye Name: 3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-N-(3-nitrophenyl)propanamide CAS Name: 3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(3-nitrophenyl)propanamide IUPAC Name: 3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(3-nitrophenyl)propanamide Traditional Name: 3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-N-(3-nitrophenyl)propionamide Formula: C21H14N4O7 MolecularWeight: 434.35846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O7/c26-18(22-13-4-2-5-14(10-13)24(29)30)7-8-23-20(27)16-6-1-3-12-9-15(25(31)32)11-17(19(12)16)21(23)28/h1-6,9-11H,7-8H2,(H,22,26)