(E)-3-(6-chloranyl-3-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-chloranyl-3-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-chloro-1-isopropyl-3-methyl-pyrazolo[3,4-b]pyridin-5-yl)prop-2-enoic acid CAS Name: (E)-3-(6-chloro-3-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-2-propenoic acid IUPAC Name: (E)-3-(6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(6-chloro-1-isopropyl-3-methyl-pyrazolo[3,4-b]pyridin-5-yl)acrylic acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=C(C=C12)C=CC(=O)O)Cl)C(C)C

Isomeric SMILES

CC1=NN(C2=NC(=C(C=C12)/C=C/C(=O)O)Cl)C(C)C

InChI

InChI=1S/C13H14ClN3O2/c1-7(2)17-13-10(8(3)16-17)6-9(12(14)15-13)4-5-11(18)19/h4-7H,1-3H3,(H,18,19)/b5-4+