[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O6/c1-10(14(18)16-9-13-6-3-7-22-13)23-15(19)11-4-2-5-12(8-11)17(20)21/h2-8,10H,9H2,1H3,(H,16,18)