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

Systemtic Name: (3-nitrophenyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-nitrophenyl) 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (3-nitrophenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

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