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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-nitrobenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-nitrobenzoate Traditional Name: 3-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(15-4-2-5-16(12-15)20(22)23)27-13-14-3-1-6-17(11-14)28(24,25)19-7-9-26-10-8-19/h1-6,11-12H,7-10,13H2