3-[(5E)-4-methyl-5-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[(5E)-4-methyl-5-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(3-isopropoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylene]-4-methyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[(5E)-4-methyl-5-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]-3-pyrrolyl]propanoic acid IUPAC Name: 3-[(5E)-4-methyl-5-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid Traditional Name: 3-[(5E)-5-[(3-isopropoxy-5-keto-3-pyrazolin-4-yl)methylene]-4-methyl-pyrrol-3-yl]propionic acid Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4/c1-8(2)22-15-11(14(21)17-18-15)6-12-9(3)10(7-16-12)4-5-13(19)20/h6-8H,4-5H2,1-3H3,(H,19,20)(H2,17,18,21)/b12-6+