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

Systemtic Name: (4-phenylmethoxycarbonylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-benzyloxycarbonylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (4-phenylmethoxycarbonylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-carbobenzoxyphenyl) ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO6/c1-15-13-18(9-12-20(15)23(26)27)22(25)29-19-10-7-17(8-11-19)21(24)28-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3