(3-morpholin-4-ylsulfonylphenyl)methyl 4-methoxy-3-nitro-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (3-morpholinosulfonylbenzyl) 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)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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