ethyl (Z)-3-(butylamino)-3-[(2-chloranyl-4-methyl-pyridin-3-yl)amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (Z)-3-(butylamino)-3-[(2-chloranyl-4-methyl-pyridin-3-yl)amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (Z)-3-(butylamino)-3-[(2-chloro-4-methyl-3-pyridyl)amino]-2-cyano-prop-2-enoate CAS Name: (Z)-3-(butylamino)-3-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(butylamino)-3-[(2-chloro-4-methylpyridin-3-yl)amino]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-(butylamino)-3-[(2-chloro-4-methyl-3-pyridyl)amino]-2-cyano-acrylic acid ethyl ester Formula: C16H21ClN4O2 MolecularWeight: 336.81654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=C(C#N)C(=O)OCC)NC1=C(C=CN=C1Cl)C

Isomeric SMILES

CCCCN/C(=C(\C#N)/C(=O)OCC)/NC1=C(C=CN=C1Cl)C

InChI

InChI=1S/C16H21ClN4O2/c1-4-6-8-20-15(12(10-18)16(22)23-5-2)21-13-11(3)7-9-19-14(13)17/h7,9,20-21H,4-6,8H2,1-3H3/b15-12-