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

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl) 3-nitrobenzoate Openeye Name: (4-morpholinosulfonylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(4-morpholinylsulfonyl)phenyl] ester IUPAC Name: (4-morpholin-4-ylsulfonylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-morpholinosulfonylphenyl) ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S/c20-17(13-2-1-3-14(12-13)19(21)22)26-15-4-6-16(7-5-15)27(23,24)18-8-10-25-11-9-18/h1-7,12H,8-11H2