[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN2O7 MolecularWeight: 444.82188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O7/c1-13(20(25)23-12-17-3-2-10-29-17)30-21(26)14-4-7-16(8-5-14)31-19-9-6-15(22)11-18(19)24(27)28/h2-11,13H,12H2,1H3,(H,23,25)