[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] anthracene-9-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C30H19ClF3NO3 MolecularWeight: 533.92497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C30H19ClF3NO3/c31-21-14-15-25(24(17-21)30(32,33)34)35-28(36)27(18-8-2-1-3-9-18)38-29(37)26-22-12-6-4-10-19(22)16-20-11-5-7-13-23(20)26/h1-17,27H,(H,35,36)