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

Systemtic Name: 2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(4-bromo-3-nitro-benzoyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(4-bromo-3-nitrobenzoyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(4-bromo-3-nitro-benzoyl)amino]-3,3-dimethyl-butyric acid Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O5/c1-13(2,3)10(12(18)19)15-11(17)7-4-5-8(14)9(6-7)16(20)21/h4-6,10H,1-3H3,(H,15,17)(H,18,19)