3-[3-[6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoylamino]propanoic acid

Systemtic Name: 3-[3-[6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoylamino]propanoic acid Openeye Name: 3-[3-(6-chloro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propanoylamino]propanoic acid CAS Name: 3-[[3-(6-chloro-1,3-dioxo-2-benzo[de]isoquinolinyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoylamino]propanoic acid Traditional Name: 3-[3-(6-chloro-1,3-diketo-benzo[de]isoquinolin-2-yl)propanoylamino]propionic acid Formula: C18H15ClN2O5 MolecularWeight: 374.7751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)NCCC(=O)O)Cl

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)NCCC(=O)O)Cl

InChI

InChI=1S/C18H15ClN2O5/c19-13-5-4-12-16-10(13)2-1-3-11(16)17(25)21(18(12)26)9-7-14(22)20-8-6-15(23)24/h1-5H,6-9H2,(H,20,22)(H,23,24)