(3-methyl-4-nitro-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-methyl-4-nitro-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-methyl-4-nitro-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-methyl-4-nitro-phenyl) ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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