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

Systemtic Name: (3-nitrophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-nitrophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (3-nitrophenyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

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