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

Systemtic Name: (5-methyl-2-nitro-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (5-methyl-2-nitro-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (5-methyl-2-nitro-phenyl) ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H18N2O6S/c1-13-4-9-16(20(22)23)17(12-13)26-18(21)14-5-7-15(8-6-14)27(24,25)19-10-2-3-11-19/h4-9,12H,2-3,10-11H2,1H3