ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-(methylamino)prop-2-enoate

Systemtic Name: ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-(methylamino)prop-2-enoate Openeye Name: ethyl (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(methylamino)prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(methylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-(methylamino)prop-2-enoate Traditional Name: (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(methylamino)acrylic acid ethyl ester Formula: C13H15ClN4O2 MolecularWeight: 294.7368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC)NCC1=CN=C(C=C1)Cl)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC)/NCC1=CN=C(C=C1)Cl)/C#N

InChI

InChI=1S/C13H15ClN4O2/c1-3-20-13(19)10(6-15)12(16-2)18-8-9-4-5-11(14)17-7-9/h4-5,7,16,18H,3,8H2,1-2H3/b12-10+