ethyl 2-[2-nitro-4-[(phenylmethyl)carbamoyl]phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-[(phenylmethyl)carbamoyl]phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(benzylcarbamoyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[2-nitro-4-[oxo-[(phenylmethyl)amino]methyl]phenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzylcarbamoyl)-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-(benzylcarbamoyl)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-2-27-17(21)12-28(25,26)16-9-8-14(10-15(16)20(23)24)18(22)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,22)