methyl 2-(2-nitro-5-phenylmethoxy-phenyl)sulfanylbenzoate

Systemtic Name: methyl 2-(2-nitro-5-phenylmethoxy-phenyl)sulfanylbenzoate Openeye Name: methyl 2-(5-benzyloxy-2-nitro-phenyl)sulfanylbenzoate CAS Name: 2-[(2-nitro-5-phenylmethoxyphenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(2-nitro-5-phenylmethoxyphenyl)sulfanylbenzoate Traditional Name: 2-[(5-benzoxy-2-nitro-phenyl)thio]benzoic acid methyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=C(C=CC(=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=C(C=CC(=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO5S/c1-26-21(23)17-9-5-6-10-19(17)28-20-13-16(11-12-18(20)22(24)25)27-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3