(2-chloranyl-4-nitro-phenyl) 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-chloro-4-nitro-phenyl) 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid (2-chloro-4-nitro-phenyl) ester Formula: C18H17ClN2O8S MolecularWeight: 456.85418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN2O8S/c1-27-16-5-3-13(30(25,26)20-6-8-28-9-7-20)11-14(16)18(22)29-17-4-2-12(21(23)24)10-15(17)19/h2-5,10-11H,6-9H2,1H3