2-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(3,5-dimethyl-4-nitro-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(3,5-dimethyl-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(3,5-dimethyl-4-nitrobenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(3,5-dimethyl-4-nitro-benzoyl)amino]-3-methyl-butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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