[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] anthracene-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] anthracene-9-carboxylate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C26H20N2O3/c29-24(28-15-14-23(27-28)18-8-2-1-3-9-18)17-31-26(30)25-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)25/h1-13,16H,14-15,17H2