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

Systemtic Name: (2-methoxy-5-nitro-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-methoxy-5-nitro-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-methoxy-5-nitro-phenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-26-16-9-6-14(20(22)23)12-17(16)27-18(21)13-4-7-15(8-5-13)28(24,25)19-10-2-3-11-19/h4-9,12H,2-3,10-11H2,1H3