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

Systemtic Name: (4-phenylmethoxyphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-benzyloxyphenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-benzoxyphenyl) ester Formula: C21H16N2O7 MolecularWeight: 408.36094

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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)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)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O7/c1-14-19(22(25)26)11-16(12-20(14)23(27)28)21(24)30-18-9-7-17(8-10-18)29-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3