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

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(2-chloro-4-nitrobenzoyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-3,3-dimethyl-butyric acid Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5/c1-13(2,3)10(12(18)19)15-11(17)8-5-4-7(16(20)21)6-9(8)14/h4-6,10H,1-3H3,(H,15,17)(H,18,19)