2-(5-acetamido-4-heptoxy-2-nitro-phenyl)benzoate

Systemtic Name: 2-(5-acetamido-4-heptoxy-2-nitro-phenyl)benzoate Openeye Name: 2-(5-acetamido-4-heptoxy-2-nitro-phenyl)benzoate CAS Name: 2-(5-acetamido-4-heptoxy-2-nitrophenyl)benzoate IUPAC Name: 2-(5-acetamido-4-heptoxy-2-nitrophenyl)benzoate Traditional Name: 2-(5-acetamido-4-heptoxy-2-nitro-phenyl)benzoate Formula: C22H25N2O6- MolecularWeight: 413.4437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=CC=C2C(=O)[O-])NC(=O)C

Isomeric SMILES

CCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=CC=C2C(=O)[O-])NC(=O)C

InChI

InChI=1S/C22H26N2O6/c1-3-4-5-6-9-12-30-21-14-20(24(28)29)18(13-19(21)23-15(2)25)16-10-7-8-11-17(16)22(26)27/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,23,25)(H,26,27)/p-1