(E)-3-(6-acetyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-(6-acetyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-(6-acetoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-(6-acetyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-(6-acetyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenylprop-2-enoic acid Traditional Name: (E)-3-(6-acetoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-acrylic acid Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NC2=C(C=C1)C(=CN2)C=C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)OC1=NC2=C(C=C1)C(=CN2)/C=C(\C3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C18H14N2O4/c1-11(21)24-16-8-7-14-13(10-19-17(14)20-16)9-15(18(22)23)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)(H,22,23)/b15-9+