(4-phenylmethoxycarbonylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-phenylmethoxycarbonylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-benzyloxycarbonylphenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (4-phenylmethoxycarbonylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-carbobenzoxyphenyl) ester Formula: C22H16N2O8 MolecularWeight: 436.37104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O8/c1-14-19(23(27)28)11-17(12-20(14)24(29)30)22(26)32-18-9-7-16(8-10-18)21(25)31-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3