(2-phenethyloxyphenyl) 3-nitrobenzoate

Systemtic Name: (2-phenethyloxyphenyl) 3-nitrobenzoate Openeye Name: (2-phenethyloxyphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-phenethyloxyphenyl) ester IUPAC Name: (2-phenethyloxyphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-phenethyloxyphenyl) ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO5/c23-21(17-9-6-10-18(15-17)22(24)25)27-20-12-5-4-11-19(20)26-14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2