3,3-dimethyl-2-[2-(4-nitrophenyl)ethanoylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[2-(4-nitrophenyl)ethanoylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[2-(4-nitrophenyl)acetyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[2-(4-nitrophenyl)acetyl]amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-(4-nitrophenyl)acetyl]amino]butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-14(2,3)12(13(18)19)15-11(17)8-9-4-6-10(7-5-9)16(20)21/h4-7,12H,8H2,1-3H3,(H,15,17)(H,18,19)