ethyl 4-(2-methyl-3-nonyl-5-oxidanylidene-pyrazol-1-yl)benzoate

Systemtic Name: ethyl 4-(2-methyl-3-nonyl-5-oxidanylidene-pyrazol-1-yl)benzoate Openeye Name: ethyl 4-(2-methyl-3-nonyl-5-oxo-pyrazol-1-yl)benzoate CAS Name: 4-(2-methyl-3-nonyl-5-oxo-1-pyrazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-methyl-3-nonyl-5-oxopyrazol-1-yl)benzoate Traditional Name: 4-(5-keto-2-methyl-3-nonyl-3-pyrazolin-1-yl)benzoic acid ethyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H32N2O3/c1-4-6-7-8-9-10-11-12-20-17-21(25)24(23(20)3)19-15-13-18(14-16-19)22(26)27-5-2/h13-17H,4-12H2,1-3H3