3-[6-ethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoate

Systemtic Name: 3-[6-ethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoate Openeye Name: 3-(6-acetyl-1,3-dioxo-benzo[de]isoquinolin-2-yl)propanoate CAS Name: 3-(6-acetyl-1,3-dioxo-2-benzo[de]isoquinolinyl)propanoate IUPAC Name: 3-(6-acetyl-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoate Traditional Name: 3-(6-acetyl-1,3-diketo-benzo[de]isoquinolin-2-yl)propionate Formula: C17H12NO5- MolecularWeight: 310.28088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCC(=O)[O-]

Isomeric SMILES

CC(=O)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCC(=O)[O-]

InChI

InChI=1S/C17H13NO5/c1-9(19)10-5-6-13-15-11(10)3-2-4-12(15)16(22)18(17(13)23)8-7-14(20)21/h2-6H,7-8H2,1H3,(H,20,21)/p-1