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

Systemtic Name: 3-(4-tert-butylphenyl)-3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoic acid Openeye Name: 3-(4-tert-butylphenyl)-3-[(4-chloro-3-nitro-benzoyl)amino]propanoic acid CAS Name: 3-(4-tert-butylphenyl)-3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-tert-butylphenyl)-3-[(4-chloro-3-nitrobenzoyl)amino]propanoic acid Traditional Name: 3-(4-tert-butylphenyl)-3-[(4-chloro-3-nitro-benzoyl)amino]propionic acid Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-20(2,3)14-7-4-12(5-8-14)16(11-18(24)25)22-19(26)13-6-9-15(21)17(10-13)23(27)28/h4-10,16H,11H2,1-3H3,(H,22,26)(H,24,25)