ethyl 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfonylethanoate Openeye Name: ethyl 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfonylacetate CAS Name: 2-[2-nitro-4-[oxo-(phenethylamino)methyl]phenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfonylacetate Traditional Name: 2-[2-nitro-4-(phenethylcarbamoyl)phenyl]sulfonylacetic acid ethyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/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/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)