3-(3-bromanylphenoxy)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide

Systemtic Name: 3-(3-bromanylphenoxy)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide Openeye Name: 3-(3-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]propanamide CAS Name: 3-(3-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide IUPAC Name: 3-(3-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide Traditional Name: 3-(3-bromophenoxy)-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]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)Br)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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