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

Systemtic Name: 3-[(2E)-4-methyl-2-[(3-oxidanylidene-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid Openeye Name: 3-[(2E)-2-[(3-isopropyl-5-oxo-1,2-dihydropyrazol-4-yl)methylene]-4-methyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[(2E)-4-methyl-2-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methylidene]-3-pyrrolyl]propanoic acid IUPAC Name: 3-[(2E)-4-methyl-2-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid Traditional Name: 3-[(2E)-2-[(3-isopropyl-5-keto-3-pyrazolin-4-yl)methylene]-4-methyl-pyrrol-3-yl]propionic acid Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C(NNC2=O)C(C)C)N=C1)CCC(=O)O

Isomeric SMILES

CC1=C(/C(=C\C2=C(NNC2=O)C(C)C)/N=C1)CCC(=O)O

InChI

InChI=1S/C15H19N3O3/c1-8(2)14-11(15(21)18-17-14)6-12-10(4-5-13(19)20)9(3)7-16-12/h6-8H,4-5H2,1-3H3,(H,19,20)(H2,17,18,21)/b12-6+