[2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(9H-fluoren-3-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(9H-fluoren-3-yl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(9H-fluoren-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(9H-fluoren-3-yl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(9H-fluoren-3-yl)-2-keto-ethyl] ester Formula: C27H21ClN2O3 MolecularWeight: 456.92024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H21ClN2O3/c1-17-25(26(28)30(29-17)15-18-7-3-2-4-8-18)27(32)33-16-24(31)21-12-11-20-13-19-9-5-6-10-22(19)23(20)14-21/h2-12,14H,13,15-16H2,1H3