N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C20H23BrN2O8 MolecularWeight: 499.30922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O8/c1-27-14-8-11(13(21)10-15(14)28-2)6-7-22-20(24)12-9-16(29-3)18(30-4)19(31-5)17(12)23(25)26/h8-10H,6-7H2,1-5H3,(H,22,24)