ethyl 4-[6-nitro-5-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[6-nitro-5-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-(5-hydroxy-6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: 4-(5-hydroxy-6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(5-hydroxy-6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: 4-(5-hydroxy-1,3-diketo-6-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=C3C(=CC(=C4[N+](=O)[O-])O)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O

InChI

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