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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetic acid CAS Name: 2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)acetic acid IUPAC Name: 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid Traditional Name: 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)acetic acid Formula: C14H8N2O6 MolecularWeight: 300.22312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N2O6/c17-11(18)6-15-13(19)9-3-1-2-7-4-8(16(21)22)5-10(12(7)9)14(15)20/h1-5H,6H2,(H,17,18)