ethyl 4-[5-nitro-4-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[5-nitro-4-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-(4-hydroxy-5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: 4-(4-hydroxy-5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: 4-(4-hydroxy-1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)benzoic acid ethyl ester Formula: C21H14N2O7 MolecularWeight: 406.34506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O7/c1-2-30-21(27)11-6-8-13(9-7-11)22-19(25)14-5-3-4-12-10-15(23(28)29)18(24)17(16(12)14)20(22)26/h3-10,24H,2H2,1H3