(4-phenylmethoxyphenyl) 2-methyl-3-nitro-benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-methyl-3-nitro-benzoate Openeye Name: (4-benzyloxyphenyl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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