3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitro-benzoyl)amino]propanoic acid CAS Name: 3-(3-chlorophenyl)-3-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-(3-chlorophenyl)-3-[(4,5-dimethoxy-2-nitro-benzoyl)amino]propionic acid Formula: C18H17ClN2O7 MolecularWeight: 408.78978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17ClN2O7/c1-27-15-7-12(14(21(25)26)9-16(15)28-2)18(24)20-13(8-17(22)23)10-4-3-5-11(19)6-10/h3-7,9,13H,8H2,1-2H3,(H,20,24)(H,22,23)