N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H24BrN3O5 MolecularWeight: 478.33636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C21H24BrN3O5/c1-29-19-12-14(16(22)13-20(19)30-2)7-8-23-21(26)15-5-6-17(18(11-15)25(27)28)24-9-3-4-10-24/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,23,26)