(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(5-nitrofuran-2-yl)carbonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(5-nitrofuran-2-yl)carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(5-nitrofuran-2-carbonyl)amino]benzoate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(5-nitrofuran-2-carbonyl)amino]benzoate Traditional Name: 2-[(5-nitro-2-furoyl)amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7/c1-18(2,3)14(21)10-26-17(23)11-6-4-5-7-12(11)19-16(22)13-8-9-15(27-13)20(24)25/h4-9H,10H2,1-3H3,(H,19,22)