(3-nitro-4-octan-2-yloxy-phenyl) benzoate

Systemtic Name: (3-nitro-4-octan-2-yloxy-phenyl) benzoate Openeye Name: [4-(1-methylheptoxy)-3-nitro-phenyl] benzoate CAS Name: benzoic acid (3-nitro-4-octan-2-yloxyphenyl) ester IUPAC Name: (3-nitro-4-octan-2-yloxyphenyl) benzoate Traditional Name: benzoic acid [4-(1-methylheptoxy)-3-nitro-phenyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO5/c1-3-4-5-7-10-16(2)26-20-14-13-18(15-19(20)22(24)25)27-21(23)17-11-8-6-9-12-17/h6,8-9,11-16H,3-5,7,10H2,1-2H3