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

Systemtic Name: 5-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]pentanoic acid Openeye Name: 5-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)pentanoic acid CAS Name: 5-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)pentanoic acid IUPAC Name: 5-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)pentanoic acid Traditional Name: 5-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)valeric acid Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6/c20-14(21)6-1-2-7-18-16(22)12-5-3-4-10-8-11(19(24)25)9-13(15(10)12)17(18)23/h3-5,8-9H,1-2,6-7H2,(H,20,21)