[2-(hexylamino)-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6/c1-2-3-4-5-12-20-18(22)13-26-19(23)17-11-10-16(27-17)14-6-8-15(9-7-14)21(24)25/h6-11H,2-5,12-13H2,1H3,(H,20,22)