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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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