(E)-2-chloranyl-3-(4-pyridin-4-yl-1H-pyrrol-2-yl)prop-2-enoic acid

Systemtic Name: (E)-2-chloranyl-3-(4-pyridin-4-yl-1H-pyrrol-2-yl)prop-2-enoic acid Openeye Name: (E)-2-chloro-3-[4-(4-pyridyl)-1H-pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-2-chloro-3-(4-pyridin-4-yl-1H-pyrrol-2-yl)-2-propenoic acid IUPAC Name: (E)-2-chloro-3-(4-pyridin-4-yl-1H-pyrrol-2-yl)prop-2-enoic acid Traditional Name: (E)-2-chloro-3-[4-(4-pyridyl)-1H-pyrrol-2-yl]acrylic acid Formula: C12H9ClN2O2 MolecularWeight: 248.66506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CNC(=C2)C=C(C(=O)O)Cl

Isomeric SMILES

C1=CN=CC=C1C2=CNC(=C2)/C=C(\C(=O)O)/Cl

InChI

InChI=1S/C12H9ClN2O2/c13-11(12(16)17)6-10-5-9(7-15-10)8-1-3-14-4-2-8/h1-7,15H,(H,16,17)/b11-6+