N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(3-nitrophenoxy)propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(3-nitrophenoxy)propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(3-nitrophenoxy)propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-nitrophenoxy)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(3-nitrophenoxy)propanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(3-nitrophenoxy)propionamide Formula: C19H21BrN2O6 MolecularWeight: 453.28384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCOC2=CC=CC(=C2)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCOC2=CC=CC(=C2)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C19H21BrN2O6/c1-26-17-10-13(16(20)12-18(17)27-2)6-8-21-19(23)7-9-28-15-5-3-4-14(11-15)22(24)25/h3-5,10-12H,6-9H2,1-2H3,(H,21,23)