(2E)-4-methyl-3-oxidanylidene-2-(pyridin-2-ylmethylidene)pentanoic acid

Systemtic Name: (2E)-4-methyl-3-oxidanylidene-2-(pyridin-2-ylmethylidene)pentanoic acid Openeye Name: (2E)-4-methyl-3-oxo-2-(2-pyridylmethylene)pentanoic acid CAS Name: (2E)-4-methyl-3-oxo-2-(2-pyridinylmethylidene)pentanoic acid IUPAC Name: (2E)-4-methyl-3-oxo-2-(pyridin-2-ylmethylidene)pentanoic acid Traditional Name: (E)-2-isobutyryl-3-(2-pyridyl)acrylic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=CC1=CC=CC=N1)C(=O)O

Isomeric SMILES

CC(C)C(=O)/C(=C\C1=CC=CC=N1)/C(=O)O

InChI

InChI=1S/C12H13NO3/c1-8(2)11(14)10(12(15)16)7-9-5-3-4-6-13-9/h3-8H,1-2H3,(H,15,16)/b10-7+