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

Systemtic Name: ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-(prop-2-enylamino)prop-2-enoate Openeye Name: ethyl (E)-3-(allylamino)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(prop-2-enylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-(prop-2-enylamino)prop-2-enoate Traditional Name: (E)-3-(allylamino)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-acrylic acid ethyl ester Formula: C15H17ClN4O2 MolecularWeight: 320.77408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O2/c1-3-7-18-14(12(8-17)15(21)22-4-2)20-10-11-5-6-13(16)19-9-11/h3,5-6,9,18,20H,1,4,7,10H2,2H3/b14-12+