propan-2-yl (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-cyano-acrylic acid isopropyl ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC(=C(C(=C1)Cl)OCC#C)OC)C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=CC(=C(C(=C1)Cl)OCC#C)OC)/C#N

InChI

InChI=1S/C17H16ClNO4/c1-5-6-22-16-14(18)8-12(9-15(16)21-4)7-13(10-19)17(20)23-11(2)3/h1,7-9,11H,6H2,2-4H3/b13-7+