methyl 2-[(4Z)-5-oxidanylidene-4-[1-(3-oxidanylpropylamino)ethylidene]-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4Z)-5-oxidanylidene-4-[1-(3-oxidanylpropylamino)ethylidene]-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-[1-(3-hydroxypropylamino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-[1-(3-hydroxypropylamino)ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-[1-(3-hydroxypropylamino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-4-[1-(3-hydroxypropylamino)ethylidene]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NCCCO

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NCCCO

InChI

InChI=1S/C17H21N3O4/c1-12(18-9-6-10-21)16-14(11-15(22)24-2)19-20(17(16)23)13-7-4-3-5-8-13/h3-5,7-8,18,21H,6,9-11H2,1-2H3/b16-12-