3-[1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]amino]propanoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4,5-dimethoxy-2-nitro-benzyl)-piperonyl-amino]propionic acid Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN(CCC(=O)O)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN(CCC(=O)O)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O8/c1-27-17-8-14(15(22(25)26)9-18(17)28-2)11-21(6-5-20(23)24)10-13-3-4-16-19(7-13)30-12-29-16/h3-4,7-9H,5-6,10-12H2,1-2H3,(H,23,24)