3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoate

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoate Openeye Name: 3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propanoate CAS Name: 3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)propanoate IUPAC Name: 3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)propionate Formula: C15H9N2O6- MolecularWeight: 313.24176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O6/c18-12(19)4-5-16-14(20)10-3-1-2-8-6-9(17(22)23)7-11(13(8)10)15(16)21/h1-3,6-7H,4-5H2,(H,18,19)/p-1