(2-methyl-3,5-dinitro-phenyl) 3-phenylpropanoate

Systemtic Name: (2-methyl-3,5-dinitro-phenyl) 3-phenylpropanoate Openeye Name: (2-methyl-3,5-dinitro-phenyl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (2-methyl-3,5-dinitrophenyl) ester IUPAC Name: (2-methyl-3,5-dinitrophenyl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (2-methyl-3,5-dinitro-phenyl) ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC(=O)CCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1OC(=O)CCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-11-14(18(22)23)9-13(17(20)21)10-15(11)24-16(19)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3