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

Systemtic Name: 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitro-benzoyl)amino]propanoic acid CAS Name: 3-(4-methoxyphenyl)-3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-(4-methoxyphenyl)-3-[(4-methyl-3-nitro-benzoyl)amino]propionic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-11-3-4-13(9-16(11)20(24)25)18(23)19-15(10-17(21)22)12-5-7-14(26-2)8-6-12/h3-9,15H,10H2,1-2H3,(H,19,23)(H,21,22)