5-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]pentanoic acid

Systemtic Name: 5-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]pentanoic acid Openeye Name: 5-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)pentanoic acid CAS Name: 5-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)pentanoic acid IUPAC Name: 5-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)pentanoic acid Traditional Name: 5-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)valeric acid Formula: C17H14N2O6 MolecularWeight: 342.30286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6/c20-14(21)6-1-2-9-18-16(22)11-5-3-4-10-13(19(24)25)8-7-12(15(10)11)17(18)23/h3-5,7-8H,1-2,6,9H2,(H,20,21)