(3-nitrophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (3-nitrophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (3-nitrophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (3-nitrobenzyl) ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C19H16N2O6/c1-25-18-12-14(5-7-17(18)26-10-9-20)6-8-19(22)27-13-15-3-2-4-16(11-15)21(23)24/h2-8,11-12H,10,13H2,1H3/b8-6+