N-(2-bromanyl-5-nitro-phenyl)-2-(3-heptoxyphenoxy)ethanamide

Systemtic Name: N-(2-bromanyl-5-nitro-phenyl)-2-(3-heptoxyphenoxy)ethanamide Openeye Name: N-(2-bromo-5-nitro-phenyl)-2-(3-heptoxyphenoxy)acetamide CAS Name: N-(2-bromo-5-nitrophenyl)-2-(3-heptoxyphenoxy)acetamide IUPAC Name: N-(2-bromo-5-nitrophenyl)-2-(3-heptoxyphenoxy)acetamide Traditional Name: N-(2-bromo-5-nitro-phenyl)-2-(3-heptoxyphenoxy)acetamide Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C21H25BrN2O5/c1-2-3-4-5-6-12-28-17-8-7-9-18(14-17)29-15-21(25)23-20-13-16(24(26)27)10-11-19(20)22/h7-11,13-14H,2-6,12,15H2,1H3,(H,23,25)