ethyl (E)-3-[(2-phenylazanylpyridin-3-yl)amino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(2-phenylazanylpyridin-3-yl)amino]but-2-enoate Openeye Name: ethyl (E)-3-[(2-anilino-3-pyridyl)amino]but-2-enoate CAS Name: (E)-3-[(2-anilino-3-pyridinyl)amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(2-anilinopyridin-3-yl)amino]but-2-enoate Traditional Name: (E)-3-[(2-anilino-3-pyridyl)amino]but-2-enoic acid ethyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=C(N=CC=C1)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC1=C(N=CC=C1)NC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O2/c1-3-22-16(21)12-13(2)19-15-10-7-11-18-17(15)20-14-8-5-4-6-9-14/h4-12,19H,3H2,1-2H3,(H,18,20)/b13-12+