(5-methyl-2-nitro-phenyl) 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: (5-methyl-2-nitro-phenyl) 3-morpholin-4-ylsulfonylbenzoate Openeye Name: (5-methyl-2-nitro-phenyl) 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid (5-methyl-2-nitro-phenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-13-5-6-16(20(22)23)17(11-13)27-18(21)14-3-2-4-15(12-14)28(24,25)19-7-9-26-10-8-19/h2-6,11-12H,7-10H2,1H3