[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

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