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

Systemtic Name: ethyl (E)-3-azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-amino-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-prop-2-enoate CAS Name: (E)-3-amino-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-3-[(6-chloropyridin-3-yl)methylamino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-amino-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-acrylic acid ethyl ester Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O2/c1-2-19-12(18)9(5-14)11(15)17-7-8-3-4-10(13)16-6-8/h3-4,6,17H,2,7,15H2,1H3/b11-9+