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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

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