3-[(5E)-5-[(3-cyclopropyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]-2,4-dimethyl-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[(5E)-5-[(3-cyclopropyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]-2,4-dimethyl-pyrrol-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)methylene]-2,4-dimethyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[(5E)-5-[(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-2,4-dimethyl-3-pyrrolyl]propanoic acid IUPAC Name: 3-[(5E)-5-[(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoic acid Traditional Name: 3-[(5E)-5-[(3-cyclopropyl-5-keto-3-pyrazolin-4-yl)methylene]-2,4-dimethyl-pyrrol-3-yl]propionic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3CC3)C)CCC(=O)O

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)C3CC3)C)CCC(=O)O

InChI

InChI=1S/C16H19N3O3/c1-8-11(5-6-14(20)21)9(2)17-13(8)7-12-15(10-3-4-10)18-19-16(12)22/h7,10H,3-6H2,1-2H3,(H,20,21)(H2,18,19,22)/b13-7+