(4-nitrophenyl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H17N3O7S MolecularWeight: 395.38708

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O7S/c20-16(26-11-12-1-3-13(4-2-12)19(21)22)15-9-14(10-17-15)27(23,24)18-5-7-25-8-6-18/h1-4,9-10,17H,5-8,11H2