(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN2O6/c1-20(2,3)17(24)11-29-19(26)14-6-4-5-7-16(14)22-18(25)13-9-8-12(23(27)28)10-15(13)21/h4-10H,11H2,1-3H3,(H,22,25)