[2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(9H-fluoren-3-yl)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(9H-fluoren-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(9H-fluoren-3-yl)-2-keto-ethyl] ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=C(CC5=CC=CC=C54)C=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=C(CC5=CC=CC=C54)C=C3)C

InChI

InChI=1S/C27H22N2O3/c1-17-13-18(2)29(28-17)23-11-9-19(10-12-23)27(31)32-16-26(30)22-8-7-21-14-20-5-3-4-6-24(20)25(21)15-22/h3-13,15H,14,16H2,1-2H3