4-[6-azanyl-5,8-diethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-[6-azanyl-5,8-diethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-(5,8-diacetyl-6-amino-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoic acid CAS Name: 4-(5,8-diacetyl-6-amino-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid IUPAC Name: 4-(5,8-diacetyl-6-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid Traditional Name: 4-(5,8-diacetyl-6-amino-1,3-diketo-benzo[de]isoquinolin-2-yl)butyric acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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)CCCC(=O)O)C(=O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-9(23)11-6-13-17-14(7-11)19(27)22(5-3-4-16(25)26)20(28)15(17)8-12(10(2)24)18(13)21/h6-8H,3-5,21H2,1-2H3,(H,25,26)