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

Systemtic Name: 3-(4-methoxyphenyl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(4-methoxyphenyl)-3-[(2-methyl-3-nitro-benzoyl)amino]propanoic acid CAS Name: 3-(4-methoxyphenyl)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-(4-methoxyphenyl)-3-[(2-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=CC=C1[N+](=O)[O-])C(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

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