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

Systemtic Name: (3-methyl-4-nitro-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-methyl-4-nitro-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-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(=CC=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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