4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: 4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: 4-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoate IUPAC Name: 4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)butyrate Formula: C16H11N2O6- MolecularWeight: 327.26834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6/c19-13(20)5-2-8-17-15(21)10-4-1-3-9-12(18(23)24)7-6-11(14(9)10)16(17)22/h1,3-4,6-7H,2,5,8H2,(H,19,20)/p-1