[3-(trifluoromethyl)phenyl]methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C23H12F3NO6 MolecularWeight: 455.33969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=CC(=CC=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=CC(=CC=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H12F3NO6/c24-23(25,26)13-5-3-4-12(10-13)11-33-22(30)17-9-8-16-18(19(17)27(31)32)21(29)15-7-2-1-6-14(15)20(16)28/h1-10H,11H2