[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylate CAS Name: 5-(2-chloro-4-nitrophenyl)-2-furancarboxylic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O6/c1-13(19(24)22-10-4-2-3-5-11-22)28-20(25)18-9-8-17(29-18)15-7-6-14(23(26)27)12-16(15)21/h6-9,12-13H,2-5,10-11H2,1H3/t13-/m1/s1