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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl ethanoate Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl acetate CAS Name: acetic acid 2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl acetate Traditional Name: acetic acid 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O6/c1-9(19)24-6-5-17-15(20)12-4-2-3-10-7-11(18(22)23)8-13(14(10)12)16(17)21/h2-4,7-8H,5-6H2,1H3