[2-(hexylamino)-2-oxidanylidene-ethyl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylate CAS Name: 5-(2-chloro-4-nitrophenyl)-2-furancarboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C19H21ClN2O6 MolecularWeight: 408.83284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN2O6/c1-2-3-4-5-10-21-18(23)12-27-19(24)17-9-8-16(28-17)14-7-6-13(22(25)26)11-15(14)20/h6-9,11H,2-5,10,12H2,1H3,(H,21,23)