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

Systemtic Name: 3-(4-tert-butylphenyl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(4-tert-butylphenyl)-3-[(2-methyl-3-nitro-benzoyl)amino]propanoic acid CAS Name: 3-(4-tert-butylphenyl)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-tert-butylphenyl)-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-(4-tert-butylphenyl)-3-[(2-methyl-3-nitro-benzoyl)amino]propionic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-13-16(6-5-7-18(13)23(27)28)20(26)22-17(12-19(24)25)14-8-10-15(11-9-14)21(2,3)4/h5-11,17H,12H2,1-4H3,(H,22,26)(H,24,25)