ethyl 3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: ethyl 3-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: 3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: 3-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)benzoic acid ethyl ester Formula: C21H13N3O8 MolecularWeight: 435.34322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O8/c1-2-32-21(27)11-4-3-5-13(6-11)22-19(25)16-9-14(23(28)29)7-12-8-15(24(30)31)10-17(18(12)16)20(22)26/h3-10H,2H2,1H3