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

Systemtic Name: 2-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-5-yl]propanoic acid Openeye Name: 2-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-5-yl)propanoic acid CAS Name: 2-(6-nitro-1,3-dioxo-5-benzo[de]isoquinolinyl)propanoic acid IUPAC Name: 2-(6-nitro-1,3-dioxobenzo[de]isoquinolin-5-yl)propanoic acid Traditional Name: 2-(1,3-diketo-6-nitro-benzo[de]isoquinolin-5-yl)propionic acid Formula: C15H10N2O6 MolecularWeight: 314.2497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C2=C3C(=CC=C2)C(=O)NC(=O)C3=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=C(C2=C3C(=CC=C2)C(=O)NC(=O)C3=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H10N2O6/c1-6(15(20)21)9-5-10-11-7(12(9)17(22)23)3-2-4-8(11)13(18)16-14(10)19/h2-6H,1H3,(H,20,21)(H,16,18,19)