ethyl (E)-2-cyano-3-[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-phenyl]acrylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])OCCOC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C=CC(=C1)[N+](=O)[O-])OCCOC2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C21H20N2O6/c1-3-27-21(24)17(14-22)12-16-13-18(23(25)26)6-9-20(16)29-11-10-28-19-7-4-15(2)5-8-19/h4-9,12-13H,3,10-11H2,1-2H3/b17-12+