methyl (E)-2-(nitromethyl)-3-[2-(2-phenylethynyl)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-(nitromethyl)-3-[2-(2-phenylethynyl)phenyl]prop-2-enoate Openeye Name: methyl (E)-2-(nitromethyl)-3-[2-(2-phenylethynyl)phenyl]prop-2-enoate CAS Name: (E)-2-(nitromethyl)-3-[2-(2-phenylethynyl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(nitromethyl)-3-[2-(2-phenylethynyl)phenyl]prop-2-enoate Traditional Name: (E)-2-(nitromethyl)-3-[2-(2-phenylethynyl)phenyl]acrylic acid methyl ester Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1C#CC2=CC=CC=C2)C[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C(=C/C1=CC=CC=C1C#CC2=CC=CC=C2)/C[N+](=O)[O-]

InChI

InChI=1S/C19H15NO4/c1-24-19(21)18(14-20(22)23)13-17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10,13H,14H2,1H3/b18-13+