(E)-3-[6-(2-phenylazanylethylamino)pyridin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-(2-phenylazanylethylamino)pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-(2-anilinoethylamino)-3-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-(2-anilinoethylamino)-3-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-(2-anilinoethylamino)pyridin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-(2-anilinoethylamino)-3-pyridyl]acrylic acid Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCNC2=NC=C(C=C2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NCCNC2=NC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C16H17N3O2/c20-16(21)9-7-13-6-8-15(19-12-13)18-11-10-17-14-4-2-1-3-5-14/h1-9,12,17H,10-11H2,(H,18,19)(H,20,21)/b9-7+