3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-5-yl]propanoic acid

Systemtic Name: 3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-5-yl]propanoic acid Openeye Name: 3-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-5-yl)propanoic acid CAS Name: 3-(6-nitro-1,3-dioxo-5-benzo[de]isoquinolinyl)propanoic acid IUPAC Name: 3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-5-yl)propanoic acid Traditional Name: 3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-5-yl)propionic acid Formula: C15H10N2O6 MolecularWeight: 314.2497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC(=C2[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC(=C2[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C15H10N2O6/c18-11(19)5-4-7-6-10-12-8(13(7)17(22)23)2-1-3-9(12)14(20)16-15(10)21/h1-3,6H,4-5H2,(H,18,19)(H,16,20,21)