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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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