(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H19N3O7S MolecularWeight: 373.38156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O7S/c1-14(2,3)12(18)8-24-13(19)7-16-25(22,23)9-4-5-10(15)11(6-9)17(20)21/h4-6,16H,7-8,15H2,1-3H3