ethyl 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C19H24N2O7S MolecularWeight: 424.46806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCCC2=CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCCC2=CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O7S/c1-2-28-18(22)13-29(26,27)17-9-8-15(12-16(17)21(24)25)19(23)20-11-10-14-6-4-3-5-7-14/h6,8-9,12H,2-5,7,10-11,13H2,1H3,(H,20,23)