3-(4-ethoxy-3-methoxy-phenyl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-[(2-methyl-3-nitro-benzoyl)amino]propanoic acid CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-[(2-methyl-3-nitro-benzoyl)amino]propionic acid Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)OC

InChI

InChI=1S/C20H22N2O7/c1-4-29-17-9-8-13(10-18(17)28-3)15(11-19(23)24)21-20(25)14-6-5-7-16(12(14)2)22(26)27/h5-10,15H,4,11H2,1-3H3,(H,21,25)(H,23,24)