4-methyl-3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid

Systemtic Name: 4-methyl-3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 4-methyl-3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 4-methyl-3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 4-methyl-3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-4-methyl-benzoic acid Formula: C20H12N2O6 MolecularWeight: 376.31908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H12N2O6/c1-10-5-6-12(20(25)26)8-16(10)21-18(23)14-4-2-3-11-7-13(22(27)28)9-15(17(11)14)19(21)24/h2-9H,1H3,(H,25,26)