(3,5-dinitrophenyl)methyl (E)-3-phenylprop-2-enoate

Systemtic Name: (3,5-dinitrophenyl)methyl (E)-3-phenylprop-2-enoate Openeye Name: (3,5-dinitrophenyl)methyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid (3,5-dinitrophenyl)methyl ester IUPAC Name: (3,5-dinitrophenyl)methyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid (3,5-dinitrobenzyl) ester Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6/c19-16(7-6-12-4-2-1-3-5-12)24-11-13-8-14(17(20)21)10-15(9-13)18(22)23/h1-10H,11H2/b7-6+