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

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

Isomeric SMILES

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

InChI

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