(2-methoxy-5-nitro-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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