(2-methoxy-5-nitro-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-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(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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