3,3-dimethyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(4-methyl-3-nitro-benzoyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(4-methyl-3-nitrobenzoyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[(4-methyl-3-nitro-benzoyl)amino]butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-8-5-6-9(7-10(8)16(20)21)12(17)15-11(13(18)19)14(2,3)4/h5-7,11H,1-4H3,(H,15,17)(H,18,19)