3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]propanoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)-(4-methoxy-3-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)OC)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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