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

Systemtic Name: 4-[[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]methyl]benzoic acid Openeye Name: 4-[(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)methyl]benzoic acid CAS Name: 4-[(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)methyl]benzoic acid IUPAC Name: 4-[(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid Traditional Name: 4-[(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)methyl]benzoic acid Formula: C20H12N2O6 MolecularWeight: 376.31908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H12N2O6/c23-18-14-3-1-2-13-16(22(27)28)9-8-15(17(13)14)19(24)21(18)10-11-4-6-12(7-5-11)20(25)26/h1-9H,10H2,(H,25,26)