(3-morpholin-4-ylsulfonylphenyl)methyl 2-nitrobenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-nitrobenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c21-18(16-6-1-2-7-17(16)20(22)23)27-13-14-4-3-5-15(12-14)28(24,25)19-8-10-26-11-9-19/h1-7,12H,8-11,13H2