methyl 3-nitro-4-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: methyl 3-nitro-4-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: methyl 3-nitro-4-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-nitro-4-pyrrolidinosulfonyl-benzoic acid methyl ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-20-12(15)9-4-5-11(10(8-9)14(16)17)21(18,19)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3