methyl 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzoate

Systemtic Name: methyl 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzoate Openeye Name: methyl 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzoate CAS Name: 4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]benzoate Traditional Name: 4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]benzoic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-27-19(22)15-6-4-14(5-7-15)13-28-18-9-8-16(12-17(18)21(23)24)29(25,26)20-10-2-3-11-20/h4-9,12H,2-3,10-11,13H2,1H3