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

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

Isomeric SMILES

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

InChI

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