(4-phenylmethoxyphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-benzyloxyphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-benzoxyphenyl) ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO5/c1-15-13-17(7-12-20(15)22(24)25)21(23)27-19-10-8-18(9-11-19)26-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3