(2-nitrophenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-nitrophenyl)methyl 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid (2-nitrobenzyl) ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H20N2O8S/c1-27-17-7-6-14(12-18(17)30(25,26)20-8-10-28-11-9-20)19(22)29-13-15-4-2-3-5-16(15)21(23)24/h2-7,12H,8-11,13H2,1H3