ethyl 3-(3-methyl-5-oxidanylidene-1,2-diphenyl-pyrazol-4-yl)propanoate

Systemtic Name: ethyl 3-(3-methyl-5-oxidanylidene-1,2-diphenyl-pyrazol-4-yl)propanoate Openeye Name: ethyl 3-(3-methyl-5-oxo-1,2-diphenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3-methyl-5-oxo-1,2-diphenyl-4-pyrazolyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-methyl-5-oxo-1,2-diphenylpyrazol-4-yl)propanoate Traditional Name: 3-(3-keto-5-methyl-1,2-diphenyl-3-pyrazolin-4-yl)propionic acid ethyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O3/c1-3-26-20(24)15-14-19-16(2)22(17-10-6-4-7-11-17)23(21(19)25)18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3