(3-nitrophenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-nitrophenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-nitrophenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (3-nitrobenzyl) ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H20N2O7S/c1-27-17-8-7-15(12-18(17)29(25,26)20-9-2-3-10-20)19(22)28-13-14-5-4-6-16(11-14)21(23)24/h4-8,11-12H,2-3,9-10,13H2,1H3