ethyl 3-chloranyl-4-[(3-nitrophenyl)methylsulfonylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[(3-nitrophenyl)methylsulfonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[(3-nitrophenyl)methylsulfonylamino]benzoate CAS Name: 3-chloro-4-[(3-nitrophenyl)methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[(3-nitrophenyl)methylsulfonylamino]benzoate Traditional Name: 3-chloro-4-[(3-nitrobenzyl)sulfonylamino]benzoic acid ethyl ester Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NS(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NS(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O6S/c1-2-25-16(20)12-6-7-15(14(17)9-12)18-26(23,24)10-11-4-3-5-13(8-11)19(21)22/h3-9,18H,2,10H2,1H3