(3,3-dimethyl-2-oxidanylidene-butyl) 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6/c1-17(2,3)15(19)10-23-16(20)14-9-8-13(24-14)11-4-6-12(7-5-11)18(21)22/h4-9H,10H2,1-3H3