[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6/c1-12(17(22)20-11-14-6-5-9-26-14)27-18(23)13-7-8-15(19(2,3)4)16(10-13)21(24)25/h5-10,12H,11H2,1-4H3,(H,20,22)