(3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H20N2O7S/c1-14-4-2-7-17(18(14)21(23)24)19(22)28-13-15-5-3-6-16(12-15)29(25,26)20-8-10-27-11-9-20/h2-7,12H,8-11,13H2,1H3