3-[6-azanyl-5,8-diethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-azanyl-5,8-diethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoic acid Openeye Name: 3-(5,8-diacetyl-6-amino-1,3-dioxo-benzo[de]isoquinolin-2-yl)propanoic acid CAS Name: 3-(5,8-diacetyl-6-amino-1,3-dioxo-2-benzo[de]isoquinolinyl)propanoic acid IUPAC Name: 3-(5,8-diacetyl-6-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid Traditional Name: 3-(5,8-diacetyl-6-amino-1,3-diketo-benzo[de]isoquinolin-2-yl)propionic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C3C(=C1)C(=C(C=C3C(=O)N(C2=O)CCC(=O)O)C(=O)C)N

Isomeric SMILES

CC(=O)C1=CC2=C3C(=C1)C(=C(C=C3C(=O)N(C2=O)CCC(=O)O)C(=O)C)N

InChI

InChI=1S/C19H16N2O6/c1-8(22)10-5-12-16-13(6-10)18(26)21(4-3-15(24)25)19(27)14(16)7-11(9(2)23)17(12)20/h5-7H,3-4,20H2,1-2H3,(H,24,25)