octyl 3-oxidanylidene-2-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: octyl 3-oxidanylidene-2-phenyl-1H-pyrazole-5-carboxylate Openeye Name: octyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid octyl ester IUPAC Name: octyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 5-keto-1-phenyl-3-pyrazoline-3-carboxylic acid octyl ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O3/c1-2-3-4-5-6-10-13-23-18(22)16-14-17(21)20(19-16)15-11-8-7-9-12-15/h7-9,11-12,14,19H,2-6,10,13H2,1H3