(E)-3-(4-azanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-(4-azanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenylprop-2-enoic acid Traditional Name: (E)-3-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenyl-acrylic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CNC3=NC=CC(=C23)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C2=CNC3=NC=CC(=C23)N)/C(=O)O

InChI

InChI=1S/C16H13N3O2/c17-13-6-7-18-15-14(13)11(9-19-15)8-12(16(20)21)10-4-2-1-3-5-10/h1-9H,(H,20,21)(H3,17,18,19)/b12-8+