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

Systemtic Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid Openeye Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methyl-(3-pyridylmethyl)amino]propanoic acid CAS Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methyl-(3-pyridinylmethyl)amino]propanoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid Traditional Name: 3-[(4,5-dimethoxy-2-nitro-benzyl)-(3-pyridylmethyl)amino]propionic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c1-26-16-8-14(15(21(24)25)9-17(16)27-2)12-20(7-5-18(22)23)11-13-4-3-6-19-10-13/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,22,23)