3-[(4-bromophenyl)methyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)methyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-bromophenyl)methyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-bromophenyl)methyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-bromobenzyl)-(4,5-dimethoxy-2-nitro-benzyl)amino]propionic acid Formula: C19H21BrN2O6 MolecularWeight: 453.28384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)Br)[N+](=O)[O-])OC

InChI

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