4-[5-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-[5-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-(5-amino-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoic acid CAS Name: 4-(5-amino-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid IUPAC Name: 4-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid Traditional Name: 4-(5-amino-1,3-diketo-benzo[de]isoquinolin-2-yl)butyric acid Formula: C16H14N2O4 MolecularWeight: 298.29336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)O)N

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)O)N

InChI

InChI=1S/C16H14N2O4/c17-10-7-9-3-1-4-11-14(9)12(8-10)16(22)18(15(11)21)6-2-5-13(19)20/h1,3-4,7-8H,2,5-6,17H2,(H,19,20)