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

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonyl-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonyl-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonyl-methyl-amino]-3-phenyl-propionic acid Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H22N2O8/c1-21(16(19(23)24)9-13-7-5-4-6-8-13)20(25)30-12-14-10-17(28-2)18(29-3)11-15(14)22(26)27/h4-8,10-11,16H,9,12H2,1-3H3,(H,23,24)